smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001569443079 1085223001 /nfs/dbraw/zinc/22/30/01/1085223001.db2.gz WHECWOSNOLQDLL-CSNJMZFVSA-N 2 2 330.476 2.740 10 30 EFEELP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001569467883 1085263281 /nfs/dbraw/zinc/26/32/81/1085263281.db2.gz SJAQNWUBYZJEBN-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001569467883 1085263289 /nfs/dbraw/zinc/26/32/89/1085263289.db2.gz SJAQNWUBYZJEBN-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C#CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CC(C)C)CC1 ZINC001569588814 1085410754 /nfs/dbraw/zinc/41/07/54/1085410754.db2.gz QZRCPZNFKYDPQE-UHFFFAOYSA-N 2 2 338.455 2.759 10 30 EFEELP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001569702008 1085531907 /nfs/dbraw/zinc/53/19/07/1085531907.db2.gz KGOMDFYHPGFLNS-KRWDZBQOSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001569864211 1085691255 /nfs/dbraw/zinc/69/12/55/1085691255.db2.gz OOSUNGQPYPUPGW-BZSNNMDCSA-N 2 2 344.503 2.534 10 30 EFEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569868630 1085697186 /nfs/dbraw/zinc/69/71/86/1085697186.db2.gz CNEWIXJNSAZCEI-UHFFFAOYSA-N 2 2 334.423 2.981 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001570275028 1086117290 /nfs/dbraw/zinc/11/72/90/1086117290.db2.gz OHCZEMLIGMGGEB-HXUWFJFHSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001570275028 1086117294 /nfs/dbraw/zinc/11/72/94/1086117294.db2.gz OHCZEMLIGMGGEB-HXUWFJFHSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001570287241 1086123263 /nfs/dbraw/zinc/12/32/63/1086123263.db2.gz HNCTYPGOHMQKFB-HXUWFJFHSA-N 2 2 345.487 2.530 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001570395652 1086198147 /nfs/dbraw/zinc/19/81/47/1086198147.db2.gz NKCIYJFIJBTTJC-IRXDYDNUSA-N 2 2 332.492 2.845 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001570395652 1086198151 /nfs/dbraw/zinc/19/81/51/1086198151.db2.gz NKCIYJFIJBTTJC-IRXDYDNUSA-N 2 2 332.492 2.845 10 30 EFEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001570501085 1086286292 /nfs/dbraw/zinc/28/62/92/1086286292.db2.gz ARMODDVTHHXRAD-UHFFFAOYSA-N 2 2 344.503 2.510 10 30 EFEELP CC#CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001570501085 1086286302 /nfs/dbraw/zinc/28/63/02/1086286302.db2.gz ARMODDVTHHXRAD-UHFFFAOYSA-N 2 2 344.503 2.510 10 30 EFEELP C=CCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001570661075 1086444874 /nfs/dbraw/zinc/44/48/74/1086444874.db2.gz KFFLRNDWZFMUJJ-UHFFFAOYSA-N 2 2 332.492 2.862 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570661181 1086444900 /nfs/dbraw/zinc/44/49/00/1086444900.db2.gz OTNWAVCGVBECSY-WWDZGPRUSA-N 2 2 344.503 2.771 10 30 EFEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001570779366 1086514642 /nfs/dbraw/zinc/51/46/42/1086514642.db2.gz LVKQFGBDEHZDOT-BRWVUGGUSA-N 2 2 332.492 2.562 10 30 EFEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001570845621 1086563794 /nfs/dbraw/zinc/56/37/94/1086563794.db2.gz MZUBDIJGTALKHP-IRXDYDNUSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001571335899 1086735461 /nfs/dbraw/zinc/73/54/61/1086735461.db2.gz BFBLZBNBCLPPGP-QGZVFWFLSA-N 2 2 332.492 2.941 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001571335899 1086735466 /nfs/dbraw/zinc/73/54/66/1086735466.db2.gz BFBLZBNBCLPPGP-QGZVFWFLSA-N 2 2 332.492 2.941 10 30 EFEELP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1(C)C ZINC001571564813 1086965469 /nfs/dbraw/zinc/96/54/69/1086965469.db2.gz LBBKCESTJFMHBP-QGZVFWFLSA-N 2 2 340.471 2.588 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001571627219 1086998788 /nfs/dbraw/zinc/99/87/88/1086998788.db2.gz PPHWTQJORRALSH-HZPDHXFCSA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001671229876 1088364999 /nfs/dbraw/zinc/36/49/99/1088364999.db2.gz AWVSHSUBMZZZKE-DLBZAZTESA-N 2 2 344.503 2.697 10 30 EFEELP C=C(C)C[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001649442461 1092469211 /nfs/dbraw/zinc/46/92/11/1092469211.db2.gz ZISNYCUESTXUIW-QGZVFWFLSA-N 2 2 334.423 2.971 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001650438941 1093244407 /nfs/dbraw/zinc/24/44/07/1093244407.db2.gz PYQJVBFKFVXCBO-KBPBESRZSA-N 2 2 338.883 2.814 10 30 EFEELP C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001267361584 1094309646 /nfs/dbraw/zinc/30/96/46/1094309646.db2.gz CTAUZCVVDNRFNT-GOSISDBHSA-N 2 2 340.471 2.950 10 30 EFEELP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001268118365 1095401275 /nfs/dbraw/zinc/40/12/75/1095401275.db2.gz BKXGEJBCUXNJHB-FUHWJXTLSA-N 2 2 330.476 2.512 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001268120452 1095406717 /nfs/dbraw/zinc/40/67/17/1095406717.db2.gz VXGFXPFKAIHHIW-IEBWSBKVSA-N 2 2 344.503 2.676 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001268132434 1095454147 /nfs/dbraw/zinc/45/41/47/1095454147.db2.gz NSYUGQHJBKQLIS-JKSUJKDBSA-N 2 2 326.444 2.741 10 30 EFEELP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001268172158 1096006882 /nfs/dbraw/zinc/00/68/82/1096006882.db2.gz CVTDYGPCBKXYLP-AEFFLSMTSA-N 2 2 327.472 2.860 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267594073 1096103253 /nfs/dbraw/zinc/10/32/53/1096103253.db2.gz XZTRHPSEQPSKSI-JKSUJKDBSA-N 2 2 332.492 2.822 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267594073 1096103257 /nfs/dbraw/zinc/10/32/57/1096103257.db2.gz XZTRHPSEQPSKSI-JKSUJKDBSA-N 2 2 332.492 2.822 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481768648 1096651052 /nfs/dbraw/zinc/65/10/52/1096651052.db2.gz QWAWIBSKUYDUSD-ROUUACIJSA-N 2 2 332.492 2.969 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481768648 1096651055 /nfs/dbraw/zinc/65/10/55/1096651055.db2.gz QWAWIBSKUYDUSD-ROUUACIJSA-N 2 2 332.492 2.969 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001269251077 1097985484 /nfs/dbraw/zinc/98/54/84/1097985484.db2.gz LFLUTDGQLGCQFO-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001269251077 1097985490 /nfs/dbraw/zinc/98/54/90/1097985490.db2.gz LFLUTDGQLGCQFO-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001269601086 1098280761 /nfs/dbraw/zinc/28/07/61/1098280761.db2.gz CNAYBODXPMIXLH-MSOLQXFVSA-N 2 2 346.519 2.998 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001269601086 1098280766 /nfs/dbraw/zinc/28/07/66/1098280766.db2.gz CNAYBODXPMIXLH-MSOLQXFVSA-N 2 2 346.519 2.998 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCCC1 ZINC001269611040 1098296354 /nfs/dbraw/zinc/29/63/54/1098296354.db2.gz CLODDMZMPYDRKN-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCCC1 ZINC001269611040 1098296358 /nfs/dbraw/zinc/29/63/58/1098296358.db2.gz CLODDMZMPYDRKN-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001269632926 1098309866 /nfs/dbraw/zinc/30/98/66/1098309866.db2.gz OZACNYVUSSEXOO-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001269632926 1098309873 /nfs/dbraw/zinc/30/98/73/1098309873.db2.gz OZACNYVUSSEXOO-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001269871108 1098491328 /nfs/dbraw/zinc/49/13/28/1098491328.db2.gz NZFLMSIIZAMAMX-LJQANCHMSA-N 2 2 344.503 2.712 10 30 EFEELP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001270005439 1098588573 /nfs/dbraw/zinc/58/85/73/1098588573.db2.gz XAUHTOOPEUELGN-IYARVYRRSA-N 2 2 336.439 2.526 10 30 EFEELP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267910871 1098592137 /nfs/dbraw/zinc/59/21/37/1098592137.db2.gz WBGJGYQFJASYBE-GOSISDBHSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001270035748 1098622002 /nfs/dbraw/zinc/62/20/02/1098622002.db2.gz FOOLZRYJTBDTFZ-ULQDDVLXSA-N 2 2 332.492 2.724 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267767861 1098949430 /nfs/dbraw/zinc/94/94/30/1098949430.db2.gz LOWBSHMLBMMWAN-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267767861 1098949437 /nfs/dbraw/zinc/94/94/37/1098949437.db2.gz LOWBSHMLBMMWAN-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001270370506 1099019430 /nfs/dbraw/zinc/01/94/30/1099019430.db2.gz XHPVKKIDWTYDOU-HXUWFJFHSA-N 2 2 346.434 2.576 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001267985728 1099080364 /nfs/dbraw/zinc/08/03/64/1099080364.db2.gz HCTVBXKGGYEAKK-HUUCEWRRSA-N 2 2 328.460 2.953 10 30 EFEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001270717325 1099484832 /nfs/dbraw/zinc/48/48/32/1099484832.db2.gz BJZKCCQHPPEVHT-IBGZPJMESA-N 2 2 326.444 2.661 10 30 EFEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001481398896 1099612637 /nfs/dbraw/zinc/61/26/37/1099612637.db2.gz AJYYCXUJWFFEHT-ROUUACIJSA-N 2 2 344.503 2.733 10 30 EFEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001481398896 1099612640 /nfs/dbraw/zinc/61/26/40/1099612640.db2.gz AJYYCXUJWFFEHT-ROUUACIJSA-N 2 2 344.503 2.733 10 30 EFEELP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399260 1099613854 /nfs/dbraw/zinc/61/38/54/1099613854.db2.gz ITJHZUIWIVQKLJ-GOSISDBHSA-N 2 2 338.455 2.593 10 30 EFEELP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399260 1099613860 /nfs/dbraw/zinc/61/38/60/1099613860.db2.gz ITJHZUIWIVQKLJ-GOSISDBHSA-N 2 2 338.455 2.593 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481400976 1099626627 /nfs/dbraw/zinc/62/66/27/1099626627.db2.gz UBVMJWNXVNTLKX-SFHVURJKSA-N 2 2 344.503 2.651 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481400976 1099626639 /nfs/dbraw/zinc/62/66/39/1099626639.db2.gz UBVMJWNXVNTLKX-SFHVURJKSA-N 2 2 344.503 2.651 10 30 EFEELP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481401776 1099629297 /nfs/dbraw/zinc/62/92/97/1099629297.db2.gz UFGMKCWDYUPNNW-MOPGFXCFSA-N 2 2 344.503 2.807 10 30 EFEELP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481401776 1099629303 /nfs/dbraw/zinc/62/93/03/1099629303.db2.gz UFGMKCWDYUPNNW-MOPGFXCFSA-N 2 2 344.503 2.807 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001270899345 1100170957 /nfs/dbraw/zinc/17/09/57/1100170957.db2.gz JQJBXUPHWDEWGG-KRWDZBQOSA-N 2 2 332.492 2.846 10 30 EFEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001270965909 1100318701 /nfs/dbraw/zinc/31/87/01/1100318701.db2.gz RHHCHTPXEQYXFY-IEBWSBKVSA-N 2 2 332.492 2.875 10 30 EFEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001270965909 1100318708 /nfs/dbraw/zinc/31/87/08/1100318708.db2.gz RHHCHTPXEQYXFY-IEBWSBKVSA-N 2 2 332.492 2.875 10 30 EFEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482450548 1100409316 /nfs/dbraw/zinc/40/93/16/1100409316.db2.gz WLAUPRBTOGGNLZ-KRWDZBQOSA-N 2 2 326.444 2.803 10 30 EFEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482450552 1100409416 /nfs/dbraw/zinc/40/94/16/1100409416.db2.gz WLAUPRBTOGGNLZ-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001482458718 1100508202 /nfs/dbraw/zinc/50/82/02/1100508202.db2.gz MNDGIGOXFPAVOQ-SJORKVTESA-N 2 2 332.492 2.678 10 30 EFEELP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001482458715 1100508229 /nfs/dbraw/zinc/50/82/29/1100508229.db2.gz MNDGIGOXFPAVOQ-DLBZAZTESA-N 2 2 332.492 2.678 10 30 EFEELP C=C(C)CC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001266592046 1101314372 /nfs/dbraw/zinc/31/43/72/1101314372.db2.gz GXDUJGKFLFZKME-UHFFFAOYSA-N 2 2 326.444 2.803 10 30 EFEELP C=C(C)CC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001266592046 1101314388 /nfs/dbraw/zinc/31/43/88/1101314388.db2.gz GXDUJGKFLFZKME-UHFFFAOYSA-N 2 2 326.444 2.803 10 30 EFEELP 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C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001485084944 1118024668 /nfs/dbraw/zinc/02/46/68/1118024668.db2.gz YRBLDKIXSYIRRT-ROUUACIJSA-N 2 2 344.503 2.869 10 30 EFEELP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001485241518 1118173301 /nfs/dbraw/zinc/17/33/01/1118173301.db2.gz IHTLJYFAYUJUKH-QQFBHYJXSA-N 2 2 338.883 2.946 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847408 1118639857 /nfs/dbraw/zinc/63/98/57/1118639857.db2.gz WSZKMDVFFOMSMR-WMZOPIPTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847408 1118639858 /nfs/dbraw/zinc/63/98/58/1118639858.db2.gz WSZKMDVFFOMSMR-WMZOPIPTSA-N 2 2 344.503 2.628 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)c3ccccc3)CC2)cc1 ZINC000181861534 234355921 /nfs/dbraw/zinc/35/59/21/234355921.db2.gz QLNAELUWFNLQCK-OAQYLSRUSA-N 2 2 349.478 2.888 10 30 EFEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1nc(C)c(C)s1 ZINC000262463856 240355030 /nfs/dbraw/zinc/35/50/30/240355030.db2.gz XYXFLNVPGNKJEQ-UHFFFAOYSA-N 2 2 346.504 2.548 10 30 EFEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000245570360 240257917 /nfs/dbraw/zinc/25/79/17/240257917.db2.gz WVVBLLVCSZJLRX-SJORKVTESA-N 2 2 343.471 2.663 10 30 EFEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000245570360 240257927 /nfs/dbraw/zinc/25/79/27/240257927.db2.gz WVVBLLVCSZJLRX-SJORKVTESA-N 2 2 343.471 2.663 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)CCC2 ZINC000328660193 241213915 /nfs/dbraw/zinc/21/39/15/241213915.db2.gz UYKZDLRHRQPHQN-IRXDYDNUSA-N 2 2 345.491 2.543 10 30 EFEELP Cc1cccc(NC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)[nH+]1 ZINC000070020018 203071345 /nfs/dbraw/zinc/07/13/45/203071345.db2.gz MQCNADCGYZILGC-UHFFFAOYSA-N 2 2 349.438 2.777 10 30 EFEELP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441379341 250027057 /nfs/dbraw/zinc/02/70/57/250027057.db2.gz PAHSADBRCSWVPS-AEFFLSMTSA-N 2 2 326.444 2.522 10 30 EFEELP C=C(C)CN(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000095405380 218340989 /nfs/dbraw/zinc/34/09/89/218340989.db2.gz MHXSWSHKQOWCOP-UHFFFAOYSA-N 2 2 336.524 2.544 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(C#N)s3)CCC[NH+]2C)cn1 ZINC000328632296 258027920 /nfs/dbraw/zinc/02/79/20/258027920.db2.gz LIOKFSRCGVRMCZ-KBXCAEBGSA-N 2 2 343.500 2.868 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(C#N)s3)CCC[NH+]2C)cn1 ZINC000328632296 258027922 /nfs/dbraw/zinc/02/79/22/258027922.db2.gz LIOKFSRCGVRMCZ-KBXCAEBGSA-N 2 2 343.500 2.868 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)s3)CCC[N@@H+]2C)cn1 ZINC000328632296 258027923 /nfs/dbraw/zinc/02/79/23/258027923.db2.gz LIOKFSRCGVRMCZ-KBXCAEBGSA-N 2 2 343.500 2.868 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)s3)CCC[N@H+]2C)cn1 ZINC000328632296 258027925 /nfs/dbraw/zinc/02/79/25/258027925.db2.gz LIOKFSRCGVRMCZ-KBXCAEBGSA-N 2 2 343.500 2.868 10 30 EFEELP C[NH+]=C(NCCOC1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262017260 533477562 /nfs/dbraw/zinc/47/75/62/533477562.db2.gz YAYHIMYOHBOGDA-WMZOPIPTSA-N 2 2 347.507 2.691 10 30 EFEELP N#Cc1cccc(-c2nnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000342606558 145158628 /nfs/dbraw/zinc/15/86/28/145158628.db2.gz QFNGNXAHUKJBNY-UHFFFAOYSA-N 2 2 334.383 2.711 10 30 EFEELP C=CCc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc(OC)c1O ZINC000188410837 544995351 /nfs/dbraw/zinc/99/53/51/544995351.db2.gz LSLBDOHOSFCJSL-KRWDZBQOSA-N 2 2 327.428 2.990 10 30 EFEELP C=CCc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc(OC)c1O ZINC000188410837 544995353 /nfs/dbraw/zinc/99/53/53/544995353.db2.gz LSLBDOHOSFCJSL-KRWDZBQOSA-N 2 2 327.428 2.990 10 30 EFEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177151361 277046996 /nfs/dbraw/zinc/04/69/96/277046996.db2.gz XMMIDEMJZJNCNR-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177151361 277046997 /nfs/dbraw/zinc/04/69/97/277046997.db2.gz XMMIDEMJZJNCNR-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000182901318 277110781 /nfs/dbraw/zinc/11/07/81/277110781.db2.gz BWFAQZCCLREKEF-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000182901318 277110782 /nfs/dbraw/zinc/11/07/82/277110782.db2.gz BWFAQZCCLREKEF-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000568634881 319303437 /nfs/dbraw/zinc/30/34/37/319303437.db2.gz UUDYHHKKTVELGF-MRXNPFEDSA-N 2 2 328.416 2.774 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000568634881 319303438 /nfs/dbraw/zinc/30/34/38/319303438.db2.gz UUDYHHKKTVELGF-MRXNPFEDSA-N 2 2 328.416 2.774 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2=O)cc1 ZINC000569330727 319370480 /nfs/dbraw/zinc/37/04/80/319370480.db2.gz BHSMSKDBQZRVBI-HSALFYBXSA-N 2 2 346.434 2.788 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000581339359 324353622 /nfs/dbraw/zinc/35/36/22/324353622.db2.gz UIXCSSWLAMOGLT-TZIWHRDSSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000581339359 324353627 /nfs/dbraw/zinc/35/36/27/324353627.db2.gz UIXCSSWLAMOGLT-TZIWHRDSSA-N 2 2 348.450 2.922 10 30 EFEELP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000057847450 472484077 /nfs/dbraw/zinc/48/40/77/472484077.db2.gz XBMBLNWWINDWDH-UHFFFAOYSA-N 2 2 346.475 2.760 10 30 EFEELP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155160501 472516152 /nfs/dbraw/zinc/51/61/52/472516152.db2.gz YXFVGWVSSKQSMX-RBUKOAKNSA-N 2 2 348.535 2.583 10 30 EFEELP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155160501 472516156 /nfs/dbraw/zinc/51/61/56/472516156.db2.gz YXFVGWVSSKQSMX-RBUKOAKNSA-N 2 2 348.535 2.583 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461091 472868004 /nfs/dbraw/zinc/86/80/04/472868004.db2.gz BBSWJWVAMAGVEF-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461091 472868008 /nfs/dbraw/zinc/86/80/08/472868008.db2.gz BBSWJWVAMAGVEF-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461091 472868012 /nfs/dbraw/zinc/86/80/12/472868012.db2.gz BBSWJWVAMAGVEF-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461091 472868018 /nfs/dbraw/zinc/86/80/18/472868018.db2.gz BBSWJWVAMAGVEF-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000123162602 473105180 /nfs/dbraw/zinc/10/51/80/473105180.db2.gz IMVWBEPIOKLTIZ-IUODEOHRSA-N 2 2 334.851 2.565 10 30 EFEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000123162602 473105185 /nfs/dbraw/zinc/10/51/85/473105185.db2.gz IMVWBEPIOKLTIZ-IUODEOHRSA-N 2 2 334.851 2.565 10 30 EFEELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123162602 473105193 /nfs/dbraw/zinc/10/51/93/473105193.db2.gz IMVWBEPIOKLTIZ-IUODEOHRSA-N 2 2 334.851 2.565 10 30 EFEELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123162602 473105199 /nfs/dbraw/zinc/10/51/99/473105199.db2.gz IMVWBEPIOKLTIZ-IUODEOHRSA-N 2 2 334.851 2.565 10 30 EFEELP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663450 473933980 /nfs/dbraw/zinc/93/39/80/473933980.db2.gz BEDMZIZEIKHYNP-MRXNPFEDSA-N 2 2 326.444 2.948 10 30 EFEELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(C)(C#N)CC3)c2cc1C ZINC000272560260 474616694 /nfs/dbraw/zinc/61/66/94/474616694.db2.gz LROLPWPBZGJUNV-MRXNPFEDSA-N 2 2 326.444 2.640 10 30 EFEELP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609157353 480121062 /nfs/dbraw/zinc/12/10/62/480121062.db2.gz FNENBNNVDAZWAH-HNNXBMFYSA-N 2 2 343.818 2.684 10 30 EFEELP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609157353 480121068 /nfs/dbraw/zinc/12/10/68/480121068.db2.gz FNENBNNVDAZWAH-HNNXBMFYSA-N 2 2 343.818 2.684 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292069446 474830800 /nfs/dbraw/zinc/83/08/00/474830800.db2.gz DKWXIWMGSQVBCH-VQIMIIECSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292069446 474830805 /nfs/dbraw/zinc/83/08/05/474830805.db2.gz DKWXIWMGSQVBCH-VQIMIIECSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292069446 474830815 /nfs/dbraw/zinc/83/08/15/474830815.db2.gz DKWXIWMGSQVBCH-VQIMIIECSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292069446 474830823 /nfs/dbraw/zinc/83/08/23/474830823.db2.gz DKWXIWMGSQVBCH-VQIMIIECSA-N 2 2 347.528 2.679 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292251361 474924142 /nfs/dbraw/zinc/92/41/42/474924142.db2.gz XSADPSJLMOCXKK-UGSOOPFHSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292251361 474924150 /nfs/dbraw/zinc/92/41/50/474924150.db2.gz XSADPSJLMOCXKK-UGSOOPFHSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292251361 474924158 /nfs/dbraw/zinc/92/41/58/474924158.db2.gz XSADPSJLMOCXKK-UGSOOPFHSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292251361 474924164 /nfs/dbraw/zinc/92/41/64/474924164.db2.gz XSADPSJLMOCXKK-UGSOOPFHSA-N 2 2 346.862 2.566 10 30 EFEELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328660864 475051404 /nfs/dbraw/zinc/05/14/04/475051404.db2.gz WCPZBWPBINALAI-DLBZAZTESA-N 2 2 347.507 2.647 10 30 EFEELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328660864 475051410 /nfs/dbraw/zinc/05/14/10/475051410.db2.gz WCPZBWPBINALAI-DLBZAZTESA-N 2 2 347.507 2.647 10 30 EFEELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(F)F ZINC000295136110 475106328 /nfs/dbraw/zinc/10/63/28/475106328.db2.gz YUDRWQNJXCNQHW-DLBZAZTESA-N 2 2 337.414 2.517 10 30 EFEELP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1F ZINC000358582059 475786181 /nfs/dbraw/zinc/78/61/81/475786181.db2.gz ZLCNWIUFLZGQAA-GDBMZVCRSA-N 2 2 331.435 2.849 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1F ZINC000358582061 475786488 /nfs/dbraw/zinc/78/64/88/475786488.db2.gz ZLCNWIUFLZGQAA-HOCLYGCPSA-N 2 2 331.435 2.849 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358582493 475786769 /nfs/dbraw/zinc/78/67/69/475786769.db2.gz ZZLRQWIMYSXSMB-MJXNMMHHSA-N 2 2 331.435 2.726 10 30 EFEELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C[C@@H](C)C#N)C3CC3)c2cc1C ZINC000336880197 476170784 /nfs/dbraw/zinc/17/07/84/476170784.db2.gz PEOZFCDBQXJOSI-SUMWQHHRSA-N 2 2 326.444 2.638 10 30 EFEELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C[C@@H](C)C#N)C3CC3)c2cc1C ZINC000336880197 476170788 /nfs/dbraw/zinc/17/07/88/476170788.db2.gz PEOZFCDBQXJOSI-SUMWQHHRSA-N 2 2 326.444 2.638 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)nc1 ZINC000408524210 476965882 /nfs/dbraw/zinc/96/58/82/476965882.db2.gz YVKOHKUKFBCILU-GOSISDBHSA-N 2 2 349.438 2.602 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)nc1 ZINC000408524210 476965884 /nfs/dbraw/zinc/96/58/84/476965884.db2.gz YVKOHKUKFBCILU-GOSISDBHSA-N 2 2 349.438 2.602 10 30 EFEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459382213 477875634 /nfs/dbraw/zinc/87/56/34/477875634.db2.gz CTTQPSQSDKVCTF-CQSZACIVSA-N 2 2 339.399 2.655 10 30 EFEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459382213 477875644 /nfs/dbraw/zinc/87/56/44/477875644.db2.gz CTTQPSQSDKVCTF-CQSZACIVSA-N 2 2 339.399 2.655 10 30 EFEELP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600201637 478279144 /nfs/dbraw/zinc/27/91/44/478279144.db2.gz RQPDDMGNUGJZNS-UHFFFAOYSA-N 2 2 339.483 2.928 10 30 EFEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000600720648 478484426 /nfs/dbraw/zinc/48/44/26/478484426.db2.gz IMUSEGHNOQWVFH-RBUKOAKNSA-N 2 2 327.472 2.685 10 30 EFEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000600720648 478484433 /nfs/dbraw/zinc/48/44/33/478484433.db2.gz IMUSEGHNOQWVFH-RBUKOAKNSA-N 2 2 327.472 2.685 10 30 EFEELP Cc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[NH+]2CCCC2)cc1 ZINC000600721995 478486337 /nfs/dbraw/zinc/48/63/37/478486337.db2.gz PIJIANUUYBALIU-MOPGFXCFSA-N 2 2 327.472 2.776 10 30 EFEELP C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600735800 478497042 /nfs/dbraw/zinc/49/70/42/478497042.db2.gz VQHXJENPQVTWAI-RTBURBONSA-N 2 2 327.472 2.685 10 30 EFEELP C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000600735800 478497052 /nfs/dbraw/zinc/49/70/52/478497052.db2.gz VQHXJENPQVTWAI-RTBURBONSA-N 2 2 327.472 2.685 10 30 EFEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C#N)c2)cc1F ZINC000594739792 478523285 /nfs/dbraw/zinc/52/32/85/478523285.db2.gz VUACERIVEDQQFV-HKUYNNGSSA-N 2 2 339.414 2.941 10 30 EFEELP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000594914443 478581840 /nfs/dbraw/zinc/58/18/40/478581840.db2.gz IJOCTUQSJWXXJC-IRXDYDNUSA-N 2 2 327.472 2.831 10 30 EFEELP N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000594937214 478595009 /nfs/dbraw/zinc/59/50/09/478595009.db2.gz GOXYLYIQAOCYDO-UHFFFAOYSA-N 2 2 337.427 2.576 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137737 478681631 /nfs/dbraw/zinc/68/16/31/478681631.db2.gz HCOAWLCAANXIRW-ZBFHGGJFSA-N 2 2 326.469 2.872 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137737 478681633 /nfs/dbraw/zinc/68/16/33/478681633.db2.gz HCOAWLCAANXIRW-ZBFHGGJFSA-N 2 2 326.469 2.872 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCn4nccc43)CC2)cc1 ZINC000601173983 478705602 /nfs/dbraw/zinc/70/56/02/478705602.db2.gz OHFMKHQYLFZEJR-LJQANCHMSA-N 2 2 335.455 2.844 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979824 479112548 /nfs/dbraw/zinc/11/25/48/479112548.db2.gz DCUIGOVAZUJKJJ-FQEVSTJZSA-N 3 2 340.515 2.985 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979824 479112554 /nfs/dbraw/zinc/11/25/54/479112554.db2.gz DCUIGOVAZUJKJJ-FQEVSTJZSA-N 3 2 340.515 2.985 10 30 EFEELP C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574782492 479347259 /nfs/dbraw/zinc/34/72/59/479347259.db2.gz DFJCLGNMXAYEID-INIZCTEOSA-N 2 2 330.476 2.645 10 30 EFEELP C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574782492 479347265 /nfs/dbraw/zinc/34/72/65/479347265.db2.gz DFJCLGNMXAYEID-INIZCTEOSA-N 2 2 330.476 2.645 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000599663118 479378312 /nfs/dbraw/zinc/37/83/12/479378312.db2.gz BZGYCSKVEYDWPU-UHFFFAOYSA-N 2 2 327.472 2.944 10 30 EFEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000602539827 479387156 /nfs/dbraw/zinc/38/71/56/479387156.db2.gz LGGBRDWECRXKHW-UHFFFAOYSA-N 2 2 348.491 2.506 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576704342 479582663 /nfs/dbraw/zinc/58/26/63/479582663.db2.gz LQONJOZPNFBUSZ-LPHOPBHVSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576704342 479582669 /nfs/dbraw/zinc/58/26/69/479582669.db2.gz LQONJOZPNFBUSZ-LPHOPBHVSA-N 2 2 347.528 2.727 10 30 EFEELP COc1c[nH+]ccc1N1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000619516671 479817421 /nfs/dbraw/zinc/81/74/21/479817421.db2.gz MQHXFUFICRCQKM-UHFFFAOYSA-N 2 2 347.422 2.537 10 30 EFEELP C=CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693674 481908668 /nfs/dbraw/zinc/90/86/68/481908668.db2.gz ZLCDXLMYBLHEEU-RBUKOAKNSA-N 3 2 328.504 2.928 10 30 EFEELP C=CC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCC[NH2+]1 ZINC000662721758 481948244 /nfs/dbraw/zinc/94/82/44/481948244.db2.gz CUGBQRMYZYNFLM-HXUWFJFHSA-N 2 2 342.487 2.777 10 30 EFEELP C=CC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCC[NH2+]1 ZINC000662800706 481976087 /nfs/dbraw/zinc/97/60/87/481976087.db2.gz WTULARSWEFOXDL-QAPCUYQASA-N 2 2 333.501 2.652 10 30 EFEELP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181553780 521622792 /nfs/dbraw/zinc/62/27/92/521622792.db2.gz BBVGZZGEEXRYDT-HXUWFJFHSA-N 2 2 326.488 2.597 10 30 EFEELP CC[N@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181553780 521622795 /nfs/dbraw/zinc/62/27/95/521622795.db2.gz BBVGZZGEEXRYDT-HXUWFJFHSA-N 2 2 326.488 2.597 10 30 EFEELP C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245561757 524285516 /nfs/dbraw/zinc/28/55/16/524285516.db2.gz CEQDYACCWVIBJL-DZGCQCFKSA-N 2 2 343.456 2.728 10 30 EFEELP C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245561757 524285523 /nfs/dbraw/zinc/28/55/23/524285523.db2.gz CEQDYACCWVIBJL-DZGCQCFKSA-N 2 2 343.456 2.728 10 30 EFEELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1 ZINC000195516129 524678088 /nfs/dbraw/zinc/67/80/88/524678088.db2.gz LROITQKQXZALMW-KRWDZBQOSA-N 2 2 349.438 2.634 10 30 EFEELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1 ZINC000195516129 524678102 /nfs/dbraw/zinc/67/81/02/524678102.db2.gz LROITQKQXZALMW-KRWDZBQOSA-N 2 2 349.438 2.634 10 30 EFEELP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658061025 547344815 /nfs/dbraw/zinc/34/48/15/547344815.db2.gz RVPRTRQPUBVDEZ-AZUAARDMSA-N 2 2 335.536 2.508 10 30 EFEELP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658061025 547344819 /nfs/dbraw/zinc/34/48/19/547344819.db2.gz RVPRTRQPUBVDEZ-AZUAARDMSA-N 2 2 335.536 2.508 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940253 575363505 /nfs/dbraw/zinc/36/35/05/575363505.db2.gz SVBCWBVLQRPHQL-ATZDWAIDSA-N 2 2 339.487 2.744 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940253 575363508 /nfs/dbraw/zinc/36/35/08/575363508.db2.gz SVBCWBVLQRPHQL-ATZDWAIDSA-N 2 2 339.487 2.744 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691358597 1248693766 /nfs/dbraw/zinc/69/37/66/1248693766.db2.gz MSDRWWLMTQAWMO-YYIAUSFCSA-N 2 2 330.476 2.696 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691358597 1248693775 /nfs/dbraw/zinc/69/37/75/1248693775.db2.gz MSDRWWLMTQAWMO-YYIAUSFCSA-N 2 2 330.476 2.696 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691401636 1248741133 /nfs/dbraw/zinc/74/11/33/1248741133.db2.gz RJVAHJCBWDHMGS-KZNAEPCWSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001691403910 1248742834 /nfs/dbraw/zinc/74/28/34/1248742834.db2.gz CLYTXODAGDOCKU-QZTJIDSGSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691086500 1248383503 /nfs/dbraw/zinc/38/35/03/1248383503.db2.gz RQKFUSRTLQBLPP-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691086500 1248383509 /nfs/dbraw/zinc/38/35/09/1248383509.db2.gz RQKFUSRTLQBLPP-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691589540 1251798912 /nfs/dbraw/zinc/79/89/12/1251798912.db2.gz UCFJKVDEVGAATE-DLBZAZTESA-N 2 2 344.503 2.603 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]cn1C ZINC001272682140 1252461888 /nfs/dbraw/zinc/46/18/88/1252461888.db2.gz IDLKWXMCDXIOIT-UHFFFAOYSA-N 2 2 340.471 2.677 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]cn1C ZINC001272682140 1252461893 /nfs/dbraw/zinc/46/18/93/1252461893.db2.gz IDLKWXMCDXIOIT-UHFFFAOYSA-N 2 2 340.471 2.677 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464963 1252669669 /nfs/dbraw/zinc/66/96/69/1252669669.db2.gz LRCMURGMTNOBDH-RBUKOAKNSA-N 2 2 344.503 2.774 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464963 1252669680 /nfs/dbraw/zinc/66/96/80/1252669680.db2.gz LRCMURGMTNOBDH-RBUKOAKNSA-N 2 2 344.503 2.774 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001484466607 1252675664 /nfs/dbraw/zinc/67/56/64/1252675664.db2.gz ZKRBMSBABHLRNR-CVEARBPZSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001484466607 1252675670 /nfs/dbraw/zinc/67/56/70/1252675670.db2.gz ZKRBMSBABHLRNR-CVEARBPZSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466607 1252675677 /nfs/dbraw/zinc/67/56/77/1252675677.db2.gz ZKRBMSBABHLRNR-CVEARBPZSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466607 1252675685 /nfs/dbraw/zinc/67/56/85/1252675685.db2.gz ZKRBMSBABHLRNR-CVEARBPZSA-N 2 2 341.927 2.782 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716394 1252792214 /nfs/dbraw/zinc/79/22/14/1252792214.db2.gz JOLHPYNVIOBAIA-SJLPKXTDSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716394 1252792220 /nfs/dbraw/zinc/79/22/20/1252792220.db2.gz JOLHPYNVIOBAIA-SJLPKXTDSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001670936932 1258771903 /nfs/dbraw/zinc/77/19/03/1258771903.db2.gz APPZYJLLXBVULQ-OOKSDGMUSA-N 2 2 342.487 2.523 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001670964740 1259123984 /nfs/dbraw/zinc/12/39/84/1259123984.db2.gz FTCDGCUGJNNMKH-KSZLIROESA-N 2 2 330.476 2.866 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001670964740 1259123989 /nfs/dbraw/zinc/12/39/89/1259123989.db2.gz FTCDGCUGJNNMKH-KSZLIROESA-N 2 2 330.476 2.866 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486146491 1262693648 /nfs/dbraw/zinc/69/36/48/1262693648.db2.gz JTDMHYPOIGCRJC-IIHSZXCVSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486146491 1262693652 /nfs/dbraw/zinc/69/36/52/1262693652.db2.gz JTDMHYPOIGCRJC-IIHSZXCVSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486146491 1262693656 /nfs/dbraw/zinc/69/36/56/1262693656.db2.gz JTDMHYPOIGCRJC-IIHSZXCVSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486146491 1262693662 /nfs/dbraw/zinc/69/36/62/1262693662.db2.gz JTDMHYPOIGCRJC-IIHSZXCVSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001486153878 1262711091 /nfs/dbraw/zinc/71/10/91/1262711091.db2.gz JHQJSUCEVAIEKV-HKUYNNGSSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001486153878 1262711099 /nfs/dbraw/zinc/71/10/99/1262711099.db2.gz JHQJSUCEVAIEKV-HKUYNNGSSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001486206204 1262758390 /nfs/dbraw/zinc/75/83/90/1262758390.db2.gz FTYAXJNRROUBHI-AEFFLSMTSA-N 2 2 338.455 2.937 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001486215469 1262815541 /nfs/dbraw/zinc/81/55/41/1262815541.db2.gz NNCWHTINNWKFSP-SJORKVTESA-N 2 2 340.471 2.636 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001486400748 1263045672 /nfs/dbraw/zinc/04/56/72/1263045672.db2.gz DXMGPXWDTYPFHT-IAGOWNOFSA-N 2 2 332.492 2.614 10 30 EFEELP 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ZINC001317040956 1325510007 /nfs/dbraw/zinc/51/00/07/1325510007.db2.gz GSPHZISDXBAVST-ROUUACIJSA-N 2 2 332.492 2.971 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317040956 1325510014 /nfs/dbraw/zinc/51/00/14/1325510014.db2.gz GSPHZISDXBAVST-ROUUACIJSA-N 2 2 332.492 2.971 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317044357 1325514723 /nfs/dbraw/zinc/51/47/23/1325514723.db2.gz LKTQYWIMYYASBU-MSOLQXFVSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317044357 1325514726 /nfs/dbraw/zinc/51/47/26/1325514726.db2.gz LKTQYWIMYYASBU-MSOLQXFVSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001317103919 1325572563 /nfs/dbraw/zinc/57/25/63/1325572563.db2.gz HNRKQUTWXAFSNS-ROUUACIJSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001317103919 1325572571 /nfs/dbraw/zinc/57/25/71/1325572571.db2.gz HNRKQUTWXAFSNS-ROUUACIJSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317161431 1327657119 /nfs/dbraw/zinc/65/71/19/1327657119.db2.gz IMKVRPDBEKRYSI-SJORKVTESA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317161428 1327657997 /nfs/dbraw/zinc/65/79/97/1327657997.db2.gz IMKVRPDBEKRYSI-DLBZAZTESA-N 2 2 332.492 2.536 10 30 EFEELP C#CCC[NH2+]CCc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001317366435 1327905582 /nfs/dbraw/zinc/90/55/82/1327905582.db2.gz MSHGRVNTNOTWMU-UHFFFAOYSA-N 2 2 346.434 2.648 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317504046 1328084806 /nfs/dbraw/zinc/08/48/06/1328084806.db2.gz UGYKVMIHYADAOO-IRXDYDNUSA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317504046 1328084812 /nfs/dbraw/zinc/08/48/12/1328084812.db2.gz UGYKVMIHYADAOO-IRXDYDNUSA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317525256 1328111969 /nfs/dbraw/zinc/11/19/69/1328111969.db2.gz FZSJFMZELJCJMZ-DLBZAZTESA-N 2 2 332.492 2.719 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317525256 1328111972 /nfs/dbraw/zinc/11/19/72/1328111972.db2.gz FZSJFMZELJCJMZ-DLBZAZTESA-N 2 2 332.492 2.719 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317762490 1328359698 /nfs/dbraw/zinc/35/96/98/1328359698.db2.gz WZYGLEMBQDWRLW-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317762490 1328359705 /nfs/dbraw/zinc/35/97/05/1328359705.db2.gz WZYGLEMBQDWRLW-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001322347517 1329450193 /nfs/dbraw/zinc/45/01/93/1329450193.db2.gz SZNYPFYWDKWJKD-JKSUJKDBSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001323152438 1329517350 /nfs/dbraw/zinc/51/73/50/1329517350.db2.gz VWXUVTJFZXTTMI-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001323152437 1329517458 /nfs/dbraw/zinc/51/74/58/1329517458.db2.gz VWXUVTJFZXTTMI-IAGOWNOFSA-N 2 2 332.492 2.536 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001323260165 1329528100 /nfs/dbraw/zinc/52/81/00/1329528100.db2.gz FTFIEFIBLJNEBE-IAGOWNOFSA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001323260165 1329528103 /nfs/dbraw/zinc/52/81/03/1329528103.db2.gz FTFIEFIBLJNEBE-IAGOWNOFSA-N 2 2 332.492 2.606 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001323661484 1329559985 /nfs/dbraw/zinc/55/99/85/1329559985.db2.gz YBEIERJGDIQAEZ-DUZACMNTSA-N 2 2 330.476 2.809 10 30 EFEELP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001323733300 1329565952 /nfs/dbraw/zinc/56/59/52/1329565952.db2.gz DOAFLSMZQGUILK-UHFFFAOYSA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001323733300 1329565955 /nfs/dbraw/zinc/56/59/55/1329565955.db2.gz DOAFLSMZQGUILK-UHFFFAOYSA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001323733300 1329565956 /nfs/dbraw/zinc/56/59/56/1329565956.db2.gz DOAFLSMZQGUILK-UHFFFAOYSA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001323733300 1329565958 /nfs/dbraw/zinc/56/59/58/1329565958.db2.gz DOAFLSMZQGUILK-UHFFFAOYSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001324098267 1329599508 /nfs/dbraw/zinc/59/95/08/1329599508.db2.gz QOXVFKCGAYMBLC-NVXWUHKLSA-N 2 2 332.492 2.976 10 30 EFEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324396097 1329623350 /nfs/dbraw/zinc/62/33/50/1329623350.db2.gz DHTPSPQNIUYELI-KRWDZBQOSA-N 2 2 342.487 2.623 10 30 EFEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324396097 1329623352 /nfs/dbraw/zinc/62/33/52/1329623352.db2.gz DHTPSPQNIUYELI-KRWDZBQOSA-N 2 2 342.487 2.623 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001324481629 1329631509 /nfs/dbraw/zinc/63/15/09/1329631509.db2.gz HIACSUZWENGFJJ-HKUYNNGSSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001324481632 1329631759 /nfs/dbraw/zinc/63/17/59/1329631759.db2.gz HIACSUZWENGFJJ-IEBWSBKVSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001324935558 1329660700 /nfs/dbraw/zinc/66/07/00/1329660700.db2.gz GANYCYCXFJLPHY-HXUWFJFHSA-N 2 2 344.503 2.556 10 30 EFEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001324935558 1329660702 /nfs/dbraw/zinc/66/07/02/1329660702.db2.gz GANYCYCXFJLPHY-HXUWFJFHSA-N 2 2 344.503 2.556 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001324974490 1329664242 /nfs/dbraw/zinc/66/42/42/1329664242.db2.gz AECZZACHUQIBPS-FXAWDEMLSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001324974490 1329664243 /nfs/dbraw/zinc/66/42/43/1329664243.db2.gz AECZZACHUQIBPS-FXAWDEMLSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001325630551 1329702525 /nfs/dbraw/zinc/70/25/25/1329702525.db2.gz VJCYYDCLQQENNH-OWLYRPNTSA-N 2 2 344.503 2.975 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001325630551 1329702527 /nfs/dbraw/zinc/70/25/27/1329702527.db2.gz VJCYYDCLQQENNH-OWLYRPNTSA-N 2 2 344.503 2.975 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001325920807 1329724999 /nfs/dbraw/zinc/72/49/99/1329724999.db2.gz MYPYPBAUODQNDI-HOTGVXAUSA-N 2 2 330.476 2.719 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001325920807 1329725000 /nfs/dbraw/zinc/72/50/00/1329725000.db2.gz MYPYPBAUODQNDI-HOTGVXAUSA-N 2 2 330.476 2.719 10 30 EFEELP C=CC[N@H+]1CCc2c(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cccc2C1 ZINC001326674492 1330345066 /nfs/dbraw/zinc/34/50/66/1330345066.db2.gz JKLAWRJRIMZJQN-MRXNPFEDSA-N 2 2 338.455 2.695 10 30 EFEELP C=CC[N@@H+]1CCc2c(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cccc2C1 ZINC001326674492 1330345071 /nfs/dbraw/zinc/34/50/71/1330345071.db2.gz JKLAWRJRIMZJQN-MRXNPFEDSA-N 2 2 338.455 2.695 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530013 1330496100 /nfs/dbraw/zinc/49/61/00/1330496100.db2.gz MYXSKROTMQGATO-ICSRJNTNSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530013 1330496102 /nfs/dbraw/zinc/49/61/02/1330496102.db2.gz MYXSKROTMQGATO-ICSRJNTNSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001327925390 1330530917 /nfs/dbraw/zinc/53/09/17/1330530917.db2.gz SUQPOVNNUAJDLM-AEFFLSMTSA-N 2 2 340.471 2.588 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331296735 1330817697 /nfs/dbraw/zinc/81/76/97/1330817697.db2.gz PGJWUMZBRCLXEB-KRWDZBQOSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001332949698 1331052734 /nfs/dbraw/zinc/05/27/34/1331052734.db2.gz JHPMMIOAYGPRKQ-MRXNPFEDSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001333355142 1331124016 /nfs/dbraw/zinc/12/40/16/1331124016.db2.gz XLJZPLCYWYFUAM-UHFFFAOYSA-N 2 2 330.476 2.641 10 30 EFEELP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001333355142 1331124020 /nfs/dbraw/zinc/12/40/20/1331124020.db2.gz XLJZPLCYWYFUAM-UHFFFAOYSA-N 2 2 330.476 2.641 10 30 EFEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001338406600 1331705218 /nfs/dbraw/zinc/70/52/18/1331705218.db2.gz BGUVNKQOQVJJEN-MRXNPFEDSA-N 2 2 327.255 2.714 10 30 EFEELP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC001346627510 1332664346 /nfs/dbraw/zinc/66/43/46/1332664346.db2.gz OMDVHKQSFOKCAE-QGZVFWFLSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001346627510 1332664349 /nfs/dbraw/zinc/66/43/49/1332664349.db2.gz OMDVHKQSFOKCAE-QGZVFWFLSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001346627510 1332664354 /nfs/dbraw/zinc/66/43/54/1332664354.db2.gz OMDVHKQSFOKCAE-QGZVFWFLSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001346627510 1332664355 /nfs/dbraw/zinc/66/43/55/1332664355.db2.gz OMDVHKQSFOKCAE-QGZVFWFLSA-N 2 2 346.523 2.543 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNCCCn1cc[nH+]c1 ZINC000848419092 1334713841 /nfs/dbraw/zinc/71/38/41/1334713841.db2.gz YITVXMRFVXFWCC-QGZVFWFLSA-N 2 2 325.460 2.761 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCCCn1cc[nH+]c1 ZINC000848419092 1334713844 /nfs/dbraw/zinc/71/38/44/1334713844.db2.gz YITVXMRFVXFWCC-QGZVFWFLSA-N 2 2 325.460 2.761 10 30 EFEELP COc1cccc(/C=[NH+]/CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000849170728 1335563156 /nfs/dbraw/zinc/56/31/56/1335563156.db2.gz TZLDPAIZZCAOSP-XSFVSMFZSA-N 2 2 332.444 2.711 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703065 1337893610 /nfs/dbraw/zinc/89/36/10/1337893610.db2.gz FZPBZXUKWDCPGI-AEFFLSMTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703065 1337893616 /nfs/dbraw/zinc/89/36/16/1337893616.db2.gz FZPBZXUKWDCPGI-AEFFLSMTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001366703065 1337893622 /nfs/dbraw/zinc/89/36/22/1337893622.db2.gz FZPBZXUKWDCPGI-AEFFLSMTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001366703065 1337893628 /nfs/dbraw/zinc/89/36/28/1337893628.db2.gz FZPBZXUKWDCPGI-AEFFLSMTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001368413825 1339345452 /nfs/dbraw/zinc/34/54/52/1339345452.db2.gz URCRUHJMTHWZIU-KRWDZBQOSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001368413825 1339345456 /nfs/dbraw/zinc/34/54/56/1339345456.db2.gz URCRUHJMTHWZIU-KRWDZBQOSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001375160682 1342477357 /nfs/dbraw/zinc/47/73/57/1342477357.db2.gz RYWWLBHVGFFOED-JKSUJKDBSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001375160682 1342477359 /nfs/dbraw/zinc/47/73/59/1342477359.db2.gz RYWWLBHVGFFOED-JKSUJKDBSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001380073357 1347501497 /nfs/dbraw/zinc/50/14/97/1347501497.db2.gz PPAMCYMZROYFQA-AWEZNQCLSA-N 2 2 340.899 2.800 10 30 EFEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001388679900 1352914954 /nfs/dbraw/zinc/91/49/54/1352914954.db2.gz AOVLLNCLSYQIEI-XHSDSOJGSA-N 2 2 338.883 2.707 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279194 1357662032 /nfs/dbraw/zinc/66/20/32/1357662032.db2.gz JQCKVKMLQFWJGB-HOTGVXAUSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279194 1357662044 /nfs/dbraw/zinc/66/20/44/1357662044.db2.gz JQCKVKMLQFWJGB-HOTGVXAUSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001393498270 1356899339 /nfs/dbraw/zinc/89/93/39/1356899339.db2.gz SYSLQKQMHBEZDG-CQSZACIVSA-N 2 2 332.835 2.603 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001403194088 1364421016 /nfs/dbraw/zinc/42/10/16/1364421016.db2.gz PEFPZIAKYXPJMV-WBVHZDCISA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001403194088 1364421018 /nfs/dbraw/zinc/42/10/18/1364421018.db2.gz PEFPZIAKYXPJMV-WBVHZDCISA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001403194088 1364421020 /nfs/dbraw/zinc/42/10/20/1364421020.db2.gz PEFPZIAKYXPJMV-WBVHZDCISA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001403194088 1364421022 /nfs/dbraw/zinc/42/10/22/1364421022.db2.gz PEFPZIAKYXPJMV-WBVHZDCISA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001404380971 1365485991 /nfs/dbraw/zinc/48/59/91/1365485991.db2.gz QJLCGGWMHFTUSC-CABCVRRESA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001404380997 1365486245 /nfs/dbraw/zinc/48/62/45/1365486245.db2.gz QJLCGGWMHFTUSC-LSDHHAIUSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001406609966 1367800078 /nfs/dbraw/zinc/80/00/78/1367800078.db2.gz LIUJKMYVSBKWKJ-GDBMZVCRSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001406609966 1367800083 /nfs/dbraw/zinc/80/00/83/1367800083.db2.gz LIUJKMYVSBKWKJ-GDBMZVCRSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001406609966 1367800088 /nfs/dbraw/zinc/80/00/88/1367800088.db2.gz LIUJKMYVSBKWKJ-GDBMZVCRSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001406609966 1367800094 /nfs/dbraw/zinc/80/00/94/1367800094.db2.gz LIUJKMYVSBKWKJ-GDBMZVCRSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001437710712 1387957433 /nfs/dbraw/zinc/95/74/33/1387957433.db2.gz XVWPPMOANODBMD-HUUCEWRRSA-N 2 2 338.883 2.587 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001437710712 1387957440 /nfs/dbraw/zinc/95/74/40/1387957440.db2.gz XVWPPMOANODBMD-HUUCEWRRSA-N 2 2 338.883 2.587 10 30 EFEELP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001408101648 1369607442 /nfs/dbraw/zinc/60/74/42/1369607442.db2.gz ZVSTYVFAMMQXFJ-UHFFFAOYSA-N 2 2 338.883 2.650 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140105 1373665783 /nfs/dbraw/zinc/66/57/83/1373665783.db2.gz UCUKWRZOSQOFCA-SJLPKXTDSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140105 1373665792 /nfs/dbraw/zinc/66/57/92/1373665792.db2.gz UCUKWRZOSQOFCA-SJLPKXTDSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001418789873 1374505076 /nfs/dbraw/zinc/50/50/76/1374505076.db2.gz FPVSIWZOUHTIHV-KFWWJZLASA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001418789873 1374505078 /nfs/dbraw/zinc/50/50/78/1374505078.db2.gz FPVSIWZOUHTIHV-KFWWJZLASA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261704 1388458831 /nfs/dbraw/zinc/45/88/31/1388458831.db2.gz VCZODURNIPHZCX-IAGOWNOFSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261704 1388458834 /nfs/dbraw/zinc/45/88/34/1388458834.db2.gz VCZODURNIPHZCX-IAGOWNOFSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261707 1388459161 /nfs/dbraw/zinc/45/91/61/1388459161.db2.gz VCZODURNIPHZCX-IRXDYDNUSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261707 1388459163 /nfs/dbraw/zinc/45/91/63/1388459163.db2.gz VCZODURNIPHZCX-IRXDYDNUSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001422684432 1380586412 /nfs/dbraw/zinc/58/64/12/1380586412.db2.gz ONOHUYPZHREGOK-OAHLLOKOSA-N 2 2 338.883 2.995 10 30 EFEELP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001506853050 1406339507 /nfs/dbraw/zinc/33/95/07/1406339507.db2.gz AHKLVXNURMQMMP-IPMKNSEASA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001506853050 1406339518 /nfs/dbraw/zinc/33/95/18/1406339518.db2.gz AHKLVXNURMQMMP-IPMKNSEASA-N 2 2 344.503 2.846 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001506868282 1406383019 /nfs/dbraw/zinc/38/30/19/1406383019.db2.gz HNRXDVGSVXEARE-BGYRXZFFSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001506868282 1406383031 /nfs/dbraw/zinc/38/30/31/1406383031.db2.gz HNRXDVGSVXEARE-BGYRXZFFSA-N 2 2 344.503 2.869 10 30 EFEELP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001506931014 1406457267 /nfs/dbraw/zinc/45/72/67/1406457267.db2.gz YPSSYCRWJCURBA-CYBMUJFWSA-N 2 2 326.872 2.554 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001479501148 1397738495 /nfs/dbraw/zinc/73/84/95/1397738495.db2.gz JSVICMUAOQMMPZ-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001479519621 1397747118 /nfs/dbraw/zinc/74/71/18/1397747118.db2.gz NIUJDFZUSAYQLF-WMZOPIPTSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001479736274 1397790646 /nfs/dbraw/zinc/79/06/46/1397790646.db2.gz YHEFLLRQOGGTJM-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001479736274 1397790649 /nfs/dbraw/zinc/79/06/49/1397790649.db2.gz YHEFLLRQOGGTJM-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001479736274 1397790652 /nfs/dbraw/zinc/79/06/52/1397790652.db2.gz YHEFLLRQOGGTJM-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001479736274 1397790657 /nfs/dbraw/zinc/79/06/57/1397790657.db2.gz YHEFLLRQOGGTJM-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=C(C)C[N@H+](CC)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001479850906 1397950999 /nfs/dbraw/zinc/95/09/99/1397950999.db2.gz ZANPDQGRPJMKMW-UHFFFAOYSA-N 2 2 326.444 2.890 10 30 EFEELP C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001479850906 1397951002 /nfs/dbraw/zinc/95/10/02/1397951002.db2.gz ZANPDQGRPJMKMW-UHFFFAOYSA-N 2 2 326.444 2.890 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001507369772 1406965399 /nfs/dbraw/zinc/96/53/99/1406965399.db2.gz VXJLUABDHFYFJB-GBESFXJTSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001493839533 1398915600 /nfs/dbraw/zinc/91/56/00/1398915600.db2.gz IQKFHBOKHAGVIY-OCCSQVGLSA-N 2 2 338.883 2.558 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001493839533 1398915603 /nfs/dbraw/zinc/91/56/03/1398915603.db2.gz IQKFHBOKHAGVIY-OCCSQVGLSA-N 2 2 338.883 2.558 10 30 EFEELP C=CC[NH2+]C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@H]1C ZINC001495319797 1399836026 /nfs/dbraw/zinc/83/60/26/1399836026.db2.gz RTKUXTRHHTYXKP-OXQOHEQNSA-N 2 2 344.503 2.603 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001495359693 1399903370 /nfs/dbraw/zinc/90/33/70/1399903370.db2.gz MEDGVJDJLVAKJN-MSOLQXFVSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001495433274 1399976937 /nfs/dbraw/zinc/97/69/37/1399976937.db2.gz WHFGTPKSHTTXPK-UHFFFAOYSA-N 2 2 332.492 2.872 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001495458574 1399997688 /nfs/dbraw/zinc/99/76/88/1399997688.db2.gz SMDMJHAQRCTCPQ-XSLAGTTESA-N 2 2 344.503 2.817 10 30 EFEELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC#Cc1ccccc1 ZINC001495692321 1400170561 /nfs/dbraw/zinc/17/05/61/1400170561.db2.gz ULGJEMDJHTUJGP-INIZCTEOSA-N 2 2 346.434 2.570 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001496324121 1400639792 /nfs/dbraw/zinc/63/97/92/1400639792.db2.gz NKXYWEQNWLSSCP-FUHWJXTLSA-N 2 2 330.476 2.512 10 30 EFEELP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001496401396 1400706334 /nfs/dbraw/zinc/70/63/34/1400706334.db2.gz VEDYEHIAZZYPLW-RBUKOAKNSA-N 2 2 344.503 2.854 10 30 EFEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505058 1400780832 /nfs/dbraw/zinc/78/08/32/1400780832.db2.gz REQCCYLAIWTCMH-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505058 1400780835 /nfs/dbraw/zinc/78/08/35/1400780835.db2.gz REQCCYLAIWTCMH-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001496613115 1400871176 /nfs/dbraw/zinc/87/11/76/1400871176.db2.gz OMAQVCPYBMGLPY-SFHVURJKSA-N 2 2 342.487 2.882 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001498890542 1402361904 /nfs/dbraw/zinc/36/19/04/1402361904.db2.gz RUXJJHLJERJTDP-FUHWJXTLSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001499495572 1402642174 /nfs/dbraw/zinc/64/21/74/1402642174.db2.gz CFMUQQVDJAOGNY-ALOPSCKCSA-N 2 2 330.476 2.729 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001499551760 1402679295 /nfs/dbraw/zinc/67/92/95/1402679295.db2.gz XPEFPFXPENIIKZ-ZCNNSNEGSA-N 2 2 345.531 2.586 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001499551760 1402679299 /nfs/dbraw/zinc/67/92/99/1402679299.db2.gz XPEFPFXPENIIKZ-ZCNNSNEGSA-N 2 2 345.531 2.586 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC(C)C ZINC001499551760 1402679303 /nfs/dbraw/zinc/67/93/03/1402679303.db2.gz XPEFPFXPENIIKZ-ZCNNSNEGSA-N 2 2 345.531 2.586 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC(C)C ZINC001499551760 1402679312 /nfs/dbraw/zinc/67/93/12/1402679312.db2.gz XPEFPFXPENIIKZ-ZCNNSNEGSA-N 2 2 345.531 2.586 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001508064624 1407275425 /nfs/dbraw/zinc/27/54/25/1407275425.db2.gz OUFOJUJVPBVXQT-KBAYOESNSA-N 2 2 344.503 2.707 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001499570673 1402690390 /nfs/dbraw/zinc/69/03/90/1402690390.db2.gz SKLLJLJBKCORLI-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001499570673 1402690394 /nfs/dbraw/zinc/69/03/94/1402690394.db2.gz SKLLJLJBKCORLI-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001499570673 1402690395 /nfs/dbraw/zinc/69/03/95/1402690395.db2.gz SKLLJLJBKCORLI-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001499570673 1402690398 /nfs/dbraw/zinc/69/03/98/1402690398.db2.gz SKLLJLJBKCORLI-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001499576571 1402694713 /nfs/dbraw/zinc/69/47/13/1402694713.db2.gz LJAZSDNLJGWNCM-YLJYHZDGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001499576571 1402694715 /nfs/dbraw/zinc/69/47/15/1402694715.db2.gz LJAZSDNLJGWNCM-YLJYHZDGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001499805848 1402788657 /nfs/dbraw/zinc/78/86/57/1402788657.db2.gz WGQHJAVAJOQYKO-QGZVFWFLSA-N 2 2 329.488 2.616 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001499805848 1402788660 /nfs/dbraw/zinc/78/86/60/1402788660.db2.gz WGQHJAVAJOQYKO-QGZVFWFLSA-N 2 2 329.488 2.616 10 30 EFEELP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001500043970 1402910802 /nfs/dbraw/zinc/91/08/02/1402910802.db2.gz XUEVORIDDVDYFV-GOSISDBHSA-N 2 2 342.487 2.554 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001500221746 1402989153 /nfs/dbraw/zinc/98/91/53/1402989153.db2.gz YEXUWHVCMSRYAD-YOEHRIQHSA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001500221746 1402989156 /nfs/dbraw/zinc/98/91/56/1402989156.db2.gz YEXUWHVCMSRYAD-YOEHRIQHSA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001500221744 1402989185 /nfs/dbraw/zinc/98/91/85/1402989185.db2.gz YEXUWHVCMSRYAD-RHSMWYFYSA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001500221744 1402989189 /nfs/dbraw/zinc/98/91/89/1402989189.db2.gz YEXUWHVCMSRYAD-RHSMWYFYSA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001500221745 1402989773 /nfs/dbraw/zinc/98/97/73/1402989773.db2.gz YEXUWHVCMSRYAD-WMLDXEAASA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001500221745 1402989777 /nfs/dbraw/zinc/98/97/77/1402989777.db2.gz YEXUWHVCMSRYAD-WMLDXEAASA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001501200015 1403489521 /nfs/dbraw/zinc/48/95/21/1403489521.db2.gz MGVOEKZLHMJRPE-UHFFFAOYSA-N 2 2 346.862 2.632 10 30 EFEELP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001501427624 1403602079 /nfs/dbraw/zinc/60/20/79/1403602079.db2.gz VAOGLOJLLXXGKU-ZWKOTPCHSA-N 2 2 332.492 2.776 10 30 EFEELP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001501427624 1403602082 /nfs/dbraw/zinc/60/20/82/1403602082.db2.gz VAOGLOJLLXXGKU-ZWKOTPCHSA-N 2 2 332.492 2.776 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)Cn1c[nH+]cc1C ZINC001501665387 1403684513 /nfs/dbraw/zinc/68/45/13/1403684513.db2.gz BJQIDIIPCZZINB-UHFFFAOYSA-N 2 2 346.862 2.692 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)Cn1c[nH+]cc1C ZINC001501665387 1403684519 /nfs/dbraw/zinc/68/45/19/1403684519.db2.gz BJQIDIIPCZZINB-UHFFFAOYSA-N 2 2 346.862 2.692 10 30 EFEELP C=CCCC[NH2+]C1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001502781203 1404340546 /nfs/dbraw/zinc/34/05/46/1404340546.db2.gz VPJSFKZAGGUZLJ-UHFFFAOYSA-N 2 2 344.503 2.699 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001505922060 1405228075 /nfs/dbraw/zinc/22/80/75/1405228075.db2.gz GAABKJXIKRMBIW-KGLIPLIRSA-N 2 2 326.872 2.586 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001505922060 1405228078 /nfs/dbraw/zinc/22/80/78/1405228078.db2.gz GAABKJXIKRMBIW-KGLIPLIRSA-N 2 2 326.872 2.586 10 30 EFEELP C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001560154811 1415264730 /nfs/dbraw/zinc/26/47/30/1415264730.db2.gz STXOROMDEKAOBH-CEXWTWQISA-N 2 2 328.456 2.558 10 30 EFEELP C=CC[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001560154811 1415264731 /nfs/dbraw/zinc/26/47/31/1415264731.db2.gz STXOROMDEKAOBH-CEXWTWQISA-N 2 2 328.456 2.558 10 30 EFEELP C=CC[C@H](C(=O)OC)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001560154811 1415264732 /nfs/dbraw/zinc/26/47/32/1415264732.db2.gz STXOROMDEKAOBH-CEXWTWQISA-N 2 2 328.456 2.558 10 30 EFEELP C=CC[C@H](C(=O)OC)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001560154811 1415264733 /nfs/dbraw/zinc/26/47/33/1415264733.db2.gz STXOROMDEKAOBH-CEXWTWQISA-N 2 2 328.456 2.558 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001565937891 1415456184 /nfs/dbraw/zinc/45/61/84/1415456184.db2.gz DNCCXJXLRIJHHS-IAGOWNOFSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001565937892 1415456220 /nfs/dbraw/zinc/45/62/20/1415456220.db2.gz DNCCXJXLRIJHHS-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001565941748 1415460000 /nfs/dbraw/zinc/46/00/00/1415460000.db2.gz PTUVGOKPZICJCB-FUHWJXTLSA-N 2 2 332.492 2.536 10 30 EFEELP CC#CC[NH2+]CCCCCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001566004248 1415479750 /nfs/dbraw/zinc/47/97/50/1415479750.db2.gz CCMYKLZBPZJKNT-UHFFFAOYSA-N 2 2 340.471 2.888 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001566610508 1415693686 /nfs/dbraw/zinc/69/36/86/1415693686.db2.gz FSOVJUKJAJDJTM-MRXNPFEDSA-N 2 2 332.492 2.630 10 30 EFEELP C#CCC[NH+]1CCC(N(CCC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001566697509 1415737175 /nfs/dbraw/zinc/73/71/75/1415737175.db2.gz CFKKEHOOMVDYLI-UHFFFAOYSA-N 2 2 338.455 2.674 10 30 EFEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001566756272 1415764280 /nfs/dbraw/zinc/76/42/80/1415764280.db2.gz KDVMCAKKCIYNII-CEXWTWQISA-N 2 2 327.472 2.541 10 30 EFEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001566756272 1415764281 /nfs/dbraw/zinc/76/42/81/1415764281.db2.gz KDVMCAKKCIYNII-CEXWTWQISA-N 2 2 327.472 2.541 10 30 EFEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001566756272 1415764282 /nfs/dbraw/zinc/76/42/82/1415764282.db2.gz KDVMCAKKCIYNII-CEXWTWQISA-N 2 2 327.472 2.541 10 30 EFEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001566756272 1415764283 /nfs/dbraw/zinc/76/42/83/1415764283.db2.gz KDVMCAKKCIYNII-CEXWTWQISA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001566756424 1415765556 /nfs/dbraw/zinc/76/55/56/1415765556.db2.gz OMEFPNQEJSVBQJ-ZCNNSNEGSA-N 2 2 341.499 2.931 10 30 EFEELP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001566756424 1415765558 /nfs/dbraw/zinc/76/55/58/1415765558.db2.gz OMEFPNQEJSVBQJ-ZCNNSNEGSA-N 2 2 341.499 2.931 10 30 EFEELP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001566756424 1415765561 /nfs/dbraw/zinc/76/55/61/1415765561.db2.gz OMEFPNQEJSVBQJ-ZCNNSNEGSA-N 2 2 341.499 2.931 10 30 EFEELP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001566756424 1415765565 /nfs/dbraw/zinc/76/55/65/1415765565.db2.gz OMEFPNQEJSVBQJ-ZCNNSNEGSA-N 2 2 341.499 2.931 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001566900113 1415832010 /nfs/dbraw/zinc/83/20/10/1415832010.db2.gz MSLUXVZQVCPXOO-IAGOWNOFSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001566921175 1415847291 /nfs/dbraw/zinc/84/72/91/1415847291.db2.gz IGJHHPMKXNJFDO-GOSISDBHSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001566921175 1415847295 /nfs/dbraw/zinc/84/72/95/1415847295.db2.gz IGJHHPMKXNJFDO-GOSISDBHSA-N 2 2 344.503 2.699 10 30 EFEELP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567131860 1415945226 /nfs/dbraw/zinc/94/52/26/1415945226.db2.gz UOKBTFSJRVDUBY-QZTJIDSGSA-N 2 2 346.519 2.854 10 30 EFEELP C=CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567170396 1415967316 /nfs/dbraw/zinc/96/73/16/1415967316.db2.gz WPPOLFTZIRSBLB-QZTJIDSGSA-N 2 2 345.487 2.840 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001567406674 1416121361 /nfs/dbraw/zinc/12/13/61/1416121361.db2.gz UMCHBEFBSKQPIR-KRWDZBQOSA-N 2 2 338.455 2.890 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001567406674 1416121368 /nfs/dbraw/zinc/12/13/68/1416121368.db2.gz UMCHBEFBSKQPIR-KRWDZBQOSA-N 2 2 338.455 2.890 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001568062070 1416386881 /nfs/dbraw/zinc/38/68/81/1416386881.db2.gz UHEMMNNDTZNKRZ-QZTJIDSGSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001568098318 1416409531 /nfs/dbraw/zinc/40/95/31/1416409531.db2.gz DSIGFVNAZZYKHJ-UHFFFAOYSA-N 2 2 332.492 2.537 10 30 EFEELP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001568126891 1416420358 /nfs/dbraw/zinc/42/03/58/1416420358.db2.gz 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TWXKOLLJNZCTIH-KRWDZBQOSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC001725671487 1425769110 /nfs/dbraw/zinc/76/91/10/1425769110.db2.gz TWXKOLLJNZCTIH-QGZVFWFLSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725825000 1425886573 /nfs/dbraw/zinc/88/65/73/1425886573.db2.gz CQKVYVYXEUGULI-IAGOWNOFSA-N 2 2 330.476 2.937 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725825000 1425886580 /nfs/dbraw/zinc/88/65/80/1425886580.db2.gz CQKVYVYXEUGULI-IAGOWNOFSA-N 2 2 330.476 2.937 10 30 EFEELP C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S ZINC000176084622 715050620 /nfs/dbraw/zinc/05/06/20/715050620.db2.gz DXSQYUDGAUTZBP-HNNXBMFYSA-N 2 2 332.477 2.536 10 30 EFEELP C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S ZINC000176084622 715050624 /nfs/dbraw/zinc/05/06/24/715050624.db2.gz DXSQYUDGAUTZBP-HNNXBMFYSA-N 2 2 332.477 2.536 10 30 EFEELP Cc1cccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000303908886 724434689 /nfs/dbraw/zinc/43/46/89/724434689.db2.gz XXHNAJHUTNFZCJ-UHFFFAOYSA-N 2 2 338.455 2.754 10 30 EFEELP C=C(C)C[NH+]1CCC([NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000892880723 719254693 /nfs/dbraw/zinc/25/46/93/719254693.db2.gz GZIZATWRLDSTOT-UHFFFAOYSA-N 2 2 331.460 2.809 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907807949 727030244 /nfs/dbraw/zinc/03/02/44/727030244.db2.gz AVQYJPKUVRVSGP-MRXNPFEDSA-N 2 2 344.503 2.939 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907807949 727030246 /nfs/dbraw/zinc/03/02/46/727030246.db2.gz AVQYJPKUVRVSGP-MRXNPFEDSA-N 2 2 344.503 2.939 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940836695 728276062 /nfs/dbraw/zinc/27/60/62/728276062.db2.gz MNHCBQLBOYCUOA-MRXNPFEDSA-N 2 2 332.492 2.719 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940836695 728276065 /nfs/dbraw/zinc/27/60/65/728276065.db2.gz MNHCBQLBOYCUOA-MRXNPFEDSA-N 2 2 332.492 2.719 10 30 EFEELP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940922146 728331500 /nfs/dbraw/zinc/33/15/00/728331500.db2.gz QNWQEQUNRHRJEF-GOSISDBHSA-N 2 2 338.455 2.889 10 30 EFEELP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940922146 728331503 /nfs/dbraw/zinc/33/15/03/728331503.db2.gz QNWQEQUNRHRJEF-GOSISDBHSA-N 2 2 338.455 2.889 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569437706 1085217241 /nfs/dbraw/zinc/21/72/41/1085217241.db2.gz YCHJOYADMMPYNX-DLBZAZTESA-N 2 2 330.476 2.621 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569437706 1085217250 /nfs/dbraw/zinc/21/72/50/1085217250.db2.gz YCHJOYADMMPYNX-DLBZAZTESA-N 2 2 330.476 2.621 10 30 EFEELP C#CCC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001569449916 1085231124 /nfs/dbraw/zinc/23/11/24/1085231124.db2.gz 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C=CCC[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001571349614 1086747445 /nfs/dbraw/zinc/74/74/45/1086747445.db2.gz VXHPRBGJQBRGCX-QGZVFWFLSA-N 2 2 328.460 2.953 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001571359769 1086754804 /nfs/dbraw/zinc/75/48/04/1086754804.db2.gz FWTFXQKTUQQBRH-GOSISDBHSA-N 2 2 344.503 2.555 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001571359770 1086755025 /nfs/dbraw/zinc/75/50/25/1086755025.db2.gz FWTFXQKTUQQBRH-SFHVURJKSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001571525967 1086936611 /nfs/dbraw/zinc/93/66/11/1086936611.db2.gz ZFKHJKBPHCHWAR-SJORKVTESA-N 2 2 332.492 2.976 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001571525967 1086936613 /nfs/dbraw/zinc/93/66/13/1086936613.db2.gz ZFKHJKBPHCHWAR-SJORKVTESA-N 2 2 332.492 2.976 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C 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C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267600532 1096188846 /nfs/dbraw/zinc/18/88/46/1096188846.db2.gz CXIQDYJLYMQTBB-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267600532 1096188850 /nfs/dbraw/zinc/18/88/50/1096188850.db2.gz CXIQDYJLYMQTBB-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268274332 1096233725 /nfs/dbraw/zinc/23/37/25/1096233725.db2.gz BDYOLOBUNBMEPA-FUHWJXTLSA-N 2 2 344.503 2.603 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481730378 1096433952 /nfs/dbraw/zinc/43/39/52/1096433952.db2.gz HTSASBAEAQXWJM-ZWKOTPCHSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481730378 1096433955 /nfs/dbraw/zinc/43/39/55/1096433955.db2.gz HTSASBAEAQXWJM-ZWKOTPCHSA-N 2 2 332.492 2.969 10 30 EFEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481981315 1097036337 /nfs/dbraw/zinc/03/63/37/1097036337.db2.gz NSHZPNGXSLZLDR-QGZVFWFLSA-N 2 2 332.492 2.721 10 30 EFEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001481979126 1097040686 /nfs/dbraw/zinc/04/06/86/1097040686.db2.gz MNHJVRJXQLOLGH-QGZVFWFLSA-N 2 2 338.455 2.890 10 30 EFEELP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001482031145 1097117295 /nfs/dbraw/zinc/11/72/95/1097117295.db2.gz BVTHVKCXJASKCF-LJQANCHMSA-N 2 2 338.455 2.510 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001269252364 1097986911 /nfs/dbraw/zinc/98/69/11/1097986911.db2.gz YIOKAWYCIQQOLC-SJORKVTESA-N 2 2 332.492 2.814 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001269252364 1097986915 /nfs/dbraw/zinc/98/69/15/1097986915.db2.gz YIOKAWYCIQQOLC-SJORKVTESA-N 2 2 332.492 2.814 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001269601524 1098280832 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ZINC001485239200 1118170737 /nfs/dbraw/zinc/17/07/37/1118170737.db2.gz DWVMVQRNGXBNHT-WWDZGPRUSA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485485910 1118419682 /nfs/dbraw/zinc/41/96/82/1118419682.db2.gz SYLZBRMUVOGRCQ-SFHVURJKSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485485910 1118419685 /nfs/dbraw/zinc/41/96/85/1118419685.db2.gz SYLZBRMUVOGRCQ-SFHVURJKSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001485683058 1118525864 /nfs/dbraw/zinc/52/58/64/1118525864.db2.gz FEWSYWIVODQNQU-JCNLHEQBSA-N 2 2 326.444 2.707 10 30 EFEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001272701032 1118604690 /nfs/dbraw/zinc/60/46/90/1118604690.db2.gz RUFKEBDSUCABHM-JKSUJKDBSA-N 2 2 338.455 2.579 10 30 EFEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001272701032 1118604691 /nfs/dbraw/zinc/60/46/91/1118604691.db2.gz RUFKEBDSUCABHM-JKSUJKDBSA-N 2 2 338.455 2.579 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000328660192 241215361 /nfs/dbraw/zinc/21/53/61/241215361.db2.gz UYKZDLRHRQPHQN-DLBZAZTESA-N 2 2 345.491 2.543 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CCC2 ZINC000328655261 241215501 /nfs/dbraw/zinc/21/55/01/241215501.db2.gz MQAHRJMVJQUWHM-IRXDYDNUSA-N 2 2 345.491 2.543 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000328784345 241239402 /nfs/dbraw/zinc/23/94/02/241239402.db2.gz NUUNMVITVTWYIB-UHFFFAOYSA-N 2 2 345.491 2.584 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000329113612 241306460 /nfs/dbraw/zinc/30/64/60/241306460.db2.gz LLHGZSAEPNYRPH-KRWDZBQOSA-N 2 2 345.491 2.584 10 30 EFEELP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000434624717 248171224 /nfs/dbraw/zinc/17/12/24/248171224.db2.gz RCXZSFPCXACNGJ-IBGZPJMESA-N 2 2 343.471 2.826 10 30 EFEELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000118397880 221146192 /nfs/dbraw/zinc/14/61/92/221146192.db2.gz YGNCKWYFYHINFY-PBHICJAKSA-N 2 2 336.443 2.710 10 30 EFEELP C[NH+]1CCC(N(Cc2ccco2)Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000368135069 150047780 /nfs/dbraw/zinc/04/77/80/150047780.db2.gz OIVCXWPJZZXUSD-UHFFFAOYSA-N 2 2 349.438 2.895 10 30 EFEELP C=CCc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc(OC)c1O ZINC000188410815 544995714 /nfs/dbraw/zinc/99/57/14/544995714.db2.gz LSLBDOHOSFCJSL-QGZVFWFLSA-N 2 2 327.428 2.990 10 30 EFEELP C=CCc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc(OC)c1O ZINC000188410815 544995717 /nfs/dbraw/zinc/99/57/17/544995717.db2.gz LSLBDOHOSFCJSL-QGZVFWFLSA-N 2 2 327.428 2.990 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000297611207 268065671 /nfs/dbraw/zinc/06/56/71/268065671.db2.gz VDQDHGJHKWFPHE-UHFFFAOYSA-N 3 2 345.450 2.960 10 30 EFEELP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000574696327 319886345 /nfs/dbraw/zinc/88/63/45/319886345.db2.gz UPIKIPISLSCMFE-JXFKEZNVSA-N 2 2 329.488 2.909 10 30 EFEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)C(C)C ZINC000625558942 479970654 /nfs/dbraw/zinc/97/06/54/479970654.db2.gz ZRNGBKSFRBUQNE-QZTJIDSGSA-N 2 2 344.503 2.569 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000105896579 472800828 /nfs/dbraw/zinc/80/08/28/472800828.db2.gz RSITVYRKCYLOFR-QGZVFWFLSA-N 2 2 337.427 2.593 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000105896579 472800835 /nfs/dbraw/zinc/80/08/35/472800835.db2.gz RSITVYRKCYLOFR-QGZVFWFLSA-N 2 2 337.427 2.593 10 30 EFEELP C#CCCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079515 472856818 /nfs/dbraw/zinc/85/68/18/472856818.db2.gz KEYNJUHULFBCKQ-GOSISDBHSA-N 2 2 342.483 2.774 10 30 EFEELP C#CCCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079515 472856821 /nfs/dbraw/zinc/85/68/21/472856821.db2.gz KEYNJUHULFBCKQ-GOSISDBHSA-N 2 2 342.483 2.774 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]CCCc3[nH]c4ccccc4[nH+]3)n2c1 ZINC000123467634 473144836 /nfs/dbraw/zinc/14/48/36/473144836.db2.gz OHDDUCMBCCJJCX-UHFFFAOYSA-N 2 2 330.395 2.805 10 30 EFEELP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670741 473935772 /nfs/dbraw/zinc/93/57/72/473935772.db2.gz JQPXCMKZDKZJAB-HZPDHXFCSA-N 2 2 339.443 2.531 10 30 EFEELP C=C(C)COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1OC ZINC000195422261 474072985 /nfs/dbraw/zinc/07/29/85/474072985.db2.gz AZJKTFRDAWTYNQ-GOSISDBHSA-N 2 2 348.487 2.587 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776747 474094450 /nfs/dbraw/zinc/09/44/50/474094450.db2.gz BWBNXXQJYBTRQG-IEBWSBKVSA-N 2 2 342.487 2.595 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776747 474094456 /nfs/dbraw/zinc/09/44/56/474094456.db2.gz BWBNXXQJYBTRQG-IEBWSBKVSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776747 474094461 /nfs/dbraw/zinc/09/44/61/474094461.db2.gz BWBNXXQJYBTRQG-IEBWSBKVSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776747 474094465 /nfs/dbraw/zinc/09/44/65/474094465.db2.gz BWBNXXQJYBTRQG-IEBWSBKVSA-N 2 2 342.487 2.595 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000284275886 474608337 /nfs/dbraw/zinc/60/83/37/474608337.db2.gz NCNHXHGYRDEIRY-FPOVZHCZSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000284275886 474608342 /nfs/dbraw/zinc/60/83/42/474608342.db2.gz NCNHXHGYRDEIRY-FPOVZHCZSA-N 2 2 348.450 2.922 10 30 EFEELP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913606 474624910 /nfs/dbraw/zinc/62/49/10/474624910.db2.gz WRPCBFJKEVFYRO-CVEARBPZSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913606 474624913 /nfs/dbraw/zinc/62/49/13/474624913.db2.gz WRPCBFJKEVFYRO-CVEARBPZSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000329970976 475175517 /nfs/dbraw/zinc/17/55/17/475175517.db2.gz XKULNUZGTPDYIZ-AJYUKVHDSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000329970976 475175525 /nfs/dbraw/zinc/17/55/25/475175525.db2.gz XKULNUZGTPDYIZ-AJYUKVHDSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@@H]1CCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000329970976 475175533 /nfs/dbraw/zinc/17/55/33/475175533.db2.gz XKULNUZGTPDYIZ-AJYUKVHDSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@@H]1CCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000329970976 475175539 /nfs/dbraw/zinc/17/55/39/475175539.db2.gz XKULNUZGTPDYIZ-AJYUKVHDSA-N 2 2 345.491 2.695 10 30 EFEELP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330512525 475251189 /nfs/dbraw/zinc/25/11/89/475251189.db2.gz SHGJRTSCRYQKON-GASCZTMLSA-N 2 2 348.491 2.620 10 30 EFEELP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330512525 475251194 /nfs/dbraw/zinc/25/11/94/475251194.db2.gz SHGJRTSCRYQKON-GASCZTMLSA-N 2 2 348.491 2.620 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)c3ccsc3)CC2)cc1 ZINC000361457301 475463203 /nfs/dbraw/zinc/46/32/03/475463203.db2.gz RNZAVOXZQLHEJE-IBGZPJMESA-N 2 2 341.480 2.907 10 30 EFEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000361530831 475523333 /nfs/dbraw/zinc/52/33/33/475523333.db2.gz LWAAPNUFJNWILJ-UHFFFAOYSA-N 2 2 342.830 2.937 10 30 EFEELP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000343093369 475762595 /nfs/dbraw/zinc/76/25/95/475762595.db2.gz IJZRKBJTTCJKEQ-UHFFFAOYSA-N 2 2 339.414 2.819 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000298478725 476106919 /nfs/dbraw/zinc/10/69/19/476106919.db2.gz IZTAJFJOKDYMEI-CTNGQTDRSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000298478725 476106928 /nfs/dbraw/zinc/10/69/28/476106928.db2.gz IZTAJFJOKDYMEI-CTNGQTDRSA-N 2 2 348.450 2.922 10 30 EFEELP N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878301 476807776 /nfs/dbraw/zinc/80/77/76/476807776.db2.gz UBVRPJOSYSVPKO-XUVXKRRUSA-N 2 2 327.472 2.949 10 30 EFEELP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000415004443 476906500 /nfs/dbraw/zinc/90/65/00/476906500.db2.gz HXEATKSFZJIRMI-QWRGUYRKSA-N 2 2 343.265 2.848 10 30 EFEELP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415004438 476907184 /nfs/dbraw/zinc/90/71/84/476907184.db2.gz HXEATKSFZJIRMI-GHMZBOCLSA-N 2 2 343.265 2.848 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cc1 ZINC000367916974 477753523 /nfs/dbraw/zinc/75/35/23/477753523.db2.gz KISYEVNFVXOZGM-IBGZPJMESA-N 2 2 349.438 2.656 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cc1 ZINC000367916974 477753530 /nfs/dbraw/zinc/75/35/30/477753530.db2.gz KISYEVNFVXOZGM-IBGZPJMESA-N 2 2 349.438 2.656 10 30 EFEELP Cc1nsc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000367935945 477761056 /nfs/dbraw/zinc/76/10/56/477761056.db2.gz SVJOERNLIYPFHZ-UHFFFAOYSA-N 2 2 333.505 2.685 10 30 EFEELP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764309 478228714 /nfs/dbraw/zinc/22/87/14/478228714.db2.gz GAGRQZOLIRVZBN-KSSFIOAISA-N 2 2 338.411 2.624 10 30 EFEELP COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764309 478228716 /nfs/dbraw/zinc/22/87/16/478228716.db2.gz GAGRQZOLIRVZBN-KSSFIOAISA-N 2 2 338.411 2.624 10 30 EFEELP COc1c(C)[nH+]cnc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594587307 478450735 /nfs/dbraw/zinc/45/07/35/478450735.db2.gz ZDCBMENRQFUDGB-UHFFFAOYSA-N 2 2 337.427 2.742 10 30 EFEELP N#CC1(C[C@@H](O)C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000600738906 478498002 /nfs/dbraw/zinc/49/80/02/478498002.db2.gz MDUKLWLEPSNXPR-CYBMUJFWSA-N 2 2 330.819 2.670 10 30 EFEELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000594993697 478620133 /nfs/dbraw/zinc/62/01/33/478620133.db2.gz HCSBLVKDQLXFIK-IBGZPJMESA-N 2 2 328.504 2.722 10 30 EFEELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000594993697 478620136 /nfs/dbraw/zinc/62/01/36/478620136.db2.gz HCSBLVKDQLXFIK-IBGZPJMESA-N 2 2 328.504 2.722 10 30 EFEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000594993698 478620845 /nfs/dbraw/zinc/62/08/45/478620845.db2.gz HCSBLVKDQLXFIK-LJQANCHMSA-N 2 2 328.504 2.722 10 30 EFEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000594993698 478620854 /nfs/dbraw/zinc/62/08/54/478620854.db2.gz HCSBLVKDQLXFIK-LJQANCHMSA-N 2 2 328.504 2.722 10 30 EFEELP CC1([NH+]2CCOCC2)CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000528727029 478901085 /nfs/dbraw/zinc/90/10/85/478901085.db2.gz DQVPHDOQENZBRI-UHFFFAOYSA-N 2 2 343.471 2.514 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000598719884 478990000 /nfs/dbraw/zinc/99/00/00/478990000.db2.gz KMMAFDYRUFBVHK-RTBURBONSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000598719884 478990008 /nfs/dbraw/zinc/99/00/08/478990008.db2.gz KMMAFDYRUFBVHK-RTBURBONSA-N 2 2 329.488 2.931 10 30 EFEELP CC1=CC[N@H+](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000546564024 479035200 /nfs/dbraw/zinc/03/52/00/479035200.db2.gz MUCGKMLWHLIRAJ-UHFFFAOYSA-N 2 2 335.455 2.700 10 30 EFEELP CC1=CC[N@@H+](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000546564024 479035206 /nfs/dbraw/zinc/03/52/06/479035206.db2.gz MUCGKMLWHLIRAJ-UHFFFAOYSA-N 2 2 335.455 2.700 10 30 EFEELP C=CCOc1ccccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529665519 479240721 /nfs/dbraw/zinc/24/07/21/479240721.db2.gz ZVGHAQUYCVQSTD-UHFFFAOYSA-N 2 2 330.472 2.938 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)c1 ZINC000593514507 479372732 /nfs/dbraw/zinc/37/27/32/479372732.db2.gz DSIACMGURKQTCV-UHFFFAOYSA-N 2 2 333.439 2.724 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000599663038 479377731 /nfs/dbraw/zinc/37/77/31/479377731.db2.gz AEEMQBFCJLGGAT-UHFFFAOYSA-N 2 2 343.471 2.644 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000599663822 479378664 /nfs/dbraw/zinc/37/86/64/479378664.db2.gz KNLVINUFUWBMKN-UHFFFAOYSA-N 2 2 343.471 2.644 10 30 EFEELP C[NH+]1CCC(CNC(=O)CCCCCC#N)([NH+]2CCCCC2)CC1 ZINC000588620566 479423218 /nfs/dbraw/zinc/42/32/18/479423218.db2.gz UIRVNXPQJUUQKN-UHFFFAOYSA-N 2 2 334.508 2.527 10 30 EFEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nn1 ZINC000577395405 479591715 /nfs/dbraw/zinc/59/17/15/479591715.db2.gz OKIBDVCNTRMYHB-GOSISDBHSA-N 2 2 337.471 2.751 10 30 EFEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nn1 ZINC000577395405 479591723 /nfs/dbraw/zinc/59/17/23/479591723.db2.gz OKIBDVCNTRMYHB-GOSISDBHSA-N 2 2 337.471 2.751 10 30 EFEELP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000614168867 480213600 /nfs/dbraw/zinc/21/36/00/480213600.db2.gz ZMLBGLYPWICHBY-SFHVURJKSA-N 2 2 327.472 2.642 10 30 EFEELP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000614168867 480213608 /nfs/dbraw/zinc/21/36/08/480213608.db2.gz ZMLBGLYPWICHBY-SFHVURJKSA-N 2 2 327.472 2.642 10 30 EFEELP C=CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693673 481908179 /nfs/dbraw/zinc/90/81/79/481908179.db2.gz ZLCDXLMYBLHEEU-OALUTQOASA-N 3 2 328.504 2.928 10 30 EFEELP C=CC[C@]1(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CCC[NH2+]1 ZINC000662676443 481929114 /nfs/dbraw/zinc/92/91/14/481929114.db2.gz VSOWHHNNLOIZLX-HXUWFJFHSA-N 2 2 342.487 2.632 10 30 EFEELP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145707 481996455 /nfs/dbraw/zinc/99/64/55/481996455.db2.gz QNFDRXSERHWRND-UHFFFAOYSA-N 2 2 338.411 2.931 10 30 EFEELP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145707 481996461 /nfs/dbraw/zinc/99/64/61/481996461.db2.gz QNFDRXSERHWRND-UHFFFAOYSA-N 2 2 338.411 2.931 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412842 521719130 /nfs/dbraw/zinc/71/91/30/521719130.db2.gz AXFDAOOQLVZLMX-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412842 521719132 /nfs/dbraw/zinc/71/91/32/521719132.db2.gz AXFDAOOQLVZLMX-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412842 521719133 /nfs/dbraw/zinc/71/91/33/521719133.db2.gz AXFDAOOQLVZLMX-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412842 521719134 /nfs/dbraw/zinc/71/91/34/521719134.db2.gz AXFDAOOQLVZLMX-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761010905 576101053 /nfs/dbraw/zinc/10/10/53/576101053.db2.gz NMYPTVUWEMSIPO-MSOLQXFVSA-N 2 2 342.483 2.710 10 30 EFEELP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761010905 576101056 /nfs/dbraw/zinc/10/10/56/576101056.db2.gz NMYPTVUWEMSIPO-MSOLQXFVSA-N 2 2 342.483 2.710 10 30 EFEELP CC#CC[NH2+]CCCCCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001691454759 1249161644 /nfs/dbraw/zinc/16/16/44/1249161644.db2.gz PBFZLGRDUGVKPW-UHFFFAOYSA-N 2 2 326.444 2.580 10 30 EFEELP N#Cc1cccc([C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665014 1251257215 /nfs/dbraw/zinc/25/72/15/1251257215.db2.gz ADZZJBZFBBZBPK-BHIFYINESA-N 2 2 347.462 2.655 10 30 EFEELP N#Cc1cccc([C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665014 1251257231 /nfs/dbraw/zinc/25/72/31/1251257231.db2.gz ADZZJBZFBBZBPK-BHIFYINESA-N 2 2 347.462 2.655 10 30 EFEELP N#Cc1cccc([C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665014 1251257247 /nfs/dbraw/zinc/25/72/47/1251257247.db2.gz ADZZJBZFBBZBPK-BHIFYINESA-N 2 2 347.462 2.655 10 30 EFEELP N#Cc1cccc([C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665014 1251257266 /nfs/dbraw/zinc/25/72/66/1251257266.db2.gz ADZZJBZFBBZBPK-BHIFYINESA-N 2 2 347.462 2.655 10 30 EFEELP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484098901 1252245835 /nfs/dbraw/zinc/24/58/35/1252245835.db2.gz AOUJIPLDAJIRCU-KRWDZBQOSA-N 2 2 338.883 2.507 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484337484 1252421853 /nfs/dbraw/zinc/42/18/53/1252421853.db2.gz WUCRWOUDIUEOSY-DLBZAZTESA-N 2 2 344.503 2.555 10 30 EFEELP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001272681928 1252450193 /nfs/dbraw/zinc/45/01/93/1252450193.db2.gz CHLUNJDRWYLZLL-UHFFFAOYSA-N 2 2 326.444 2.598 10 30 EFEELP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001272681928 1252450199 /nfs/dbraw/zinc/45/01/99/1252450199.db2.gz CHLUNJDRWYLZLL-UHFFFAOYSA-N 2 2 326.444 2.598 10 30 EFEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484408720 1252564770 /nfs/dbraw/zinc/56/47/70/1252564770.db2.gz RHHWEIALELBIFP-XMTFNYHQSA-N 2 2 344.503 2.874 10 30 EFEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484408720 1252564779 /nfs/dbraw/zinc/56/47/79/1252564779.db2.gz RHHWEIALELBIFP-XMTFNYHQSA-N 2 2 344.503 2.874 10 30 EFEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484408720 1252564784 /nfs/dbraw/zinc/56/47/84/1252564784.db2.gz RHHWEIALELBIFP-XMTFNYHQSA-N 2 2 344.503 2.874 10 30 EFEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484408720 1252564796 /nfs/dbraw/zinc/56/47/96/1252564796.db2.gz RHHWEIALELBIFP-XMTFNYHQSA-N 2 2 344.503 2.874 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001484812501 1253020694 /nfs/dbraw/zinc/02/06/94/1253020694.db2.gz ASNMJKCCWDFBRS-QGZVFWFLSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670939485 1258790666 /nfs/dbraw/zinc/79/06/66/1258790666.db2.gz GRDLDMHSTJFFGM-DUZACMNTSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670939485 1258790668 /nfs/dbraw/zinc/79/06/68/1258790668.db2.gz GRDLDMHSTJFFGM-DUZACMNTSA-N 2 2 330.476 2.666 10 30 EFEELP C#CCC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCCC1 ZINC001670976566 1259258569 /nfs/dbraw/zinc/25/85/69/1259258569.db2.gz CZESOMUPTBSTFD-GOSISDBHSA-N 2 2 344.503 2.999 10 30 EFEELP C#CCC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCCC1 ZINC001670976566 1259258575 /nfs/dbraw/zinc/25/85/75/1259258575.db2.gz CZESOMUPTBSTFD-GOSISDBHSA-N 2 2 344.503 2.999 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039508 1259847957 /nfs/dbraw/zinc/84/79/57/1259847957.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039508 1259847969 /nfs/dbraw/zinc/84/79/69/1259847969.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039508 1259847977 /nfs/dbraw/zinc/84/79/77/1259847977.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039508 1259847987 /nfs/dbraw/zinc/84/79/87/1259847987.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 2 344.503 2.869 10 30 EFEELP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001486371236 1262969633 /nfs/dbraw/zinc/96/96/33/1262969633.db2.gz MPFSKVUBZNKIFA-KRWDZBQOSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001486371236 1262969642 /nfs/dbraw/zinc/96/96/42/1262969642.db2.gz MPFSKVUBZNKIFA-KRWDZBQOSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001486401904 1263047847 /nfs/dbraw/zinc/04/78/47/1263047847.db2.gz BIGSAPHAWDIRRJ-JKSUJKDBSA-N 2 2 332.492 2.532 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001411187320 1271712391 /nfs/dbraw/zinc/71/23/91/1271712391.db2.gz MXOYLHMGFIKASW-JKSUJKDBSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001411187320 1271712396 /nfs/dbraw/zinc/71/23/96/1271712396.db2.gz MXOYLHMGFIKASW-JKSUJKDBSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001411187320 1271712404 /nfs/dbraw/zinc/71/24/04/1271712404.db2.gz MXOYLHMGFIKASW-JKSUJKDBSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001411187320 1271712412 /nfs/dbraw/zinc/71/24/12/1271712412.db2.gz MXOYLHMGFIKASW-JKSUJKDBSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001411192852 1271797612 /nfs/dbraw/zinc/79/76/12/1271797612.db2.gz AOTKZNLKVPBWDV-INIZCTEOSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001411192852 1271797621 /nfs/dbraw/zinc/79/76/21/1271797621.db2.gz AOTKZNLKVPBWDV-INIZCTEOSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001411192852 1271797623 /nfs/dbraw/zinc/79/76/23/1271797623.db2.gz AOTKZNLKVPBWDV-INIZCTEOSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001411192852 1271797634 /nfs/dbraw/zinc/79/76/34/1271797634.db2.gz AOTKZNLKVPBWDV-INIZCTEOSA-N 2 2 329.916 2.782 10 30 EFEELP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001411193647 1271808698 /nfs/dbraw/zinc/80/86/98/1271808698.db2.gz DAEAONKJIVEFLE-IBGZPJMESA-N 2 2 344.503 2.567 10 30 EFEELP CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001411193647 1271808717 /nfs/dbraw/zinc/80/87/17/1271808717.db2.gz DAEAONKJIVEFLE-IBGZPJMESA-N 2 2 344.503 2.567 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000871783081 1287286709 /nfs/dbraw/zinc/28/67/09/1287286709.db2.gz JNSKPTGRXAPCLY-HNNXBMFYSA-N 2 2 348.834 2.711 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001276327246 1292783788 /nfs/dbraw/zinc/78/37/88/1292783788.db2.gz SOWOWUGFTMFINI-WMZOPIPTSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001276327246 1292783795 /nfs/dbraw/zinc/78/37/95/1292783795.db2.gz SOWOWUGFTMFINI-WMZOPIPTSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001276327246 1292783802 /nfs/dbraw/zinc/78/38/02/1292783802.db2.gz SOWOWUGFTMFINI-WMZOPIPTSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001276327246 1292783807 /nfs/dbraw/zinc/78/38/07/1292783807.db2.gz SOWOWUGFTMFINI-WMZOPIPTSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000883171108 1293490745 /nfs/dbraw/zinc/49/07/45/1293490745.db2.gz OPTKEZAOQXKVCR-HKBOAZHASA-N 2 2 344.499 2.509 10 30 EFEELP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000883171108 1293490748 /nfs/dbraw/zinc/49/07/48/1293490748.db2.gz OPTKEZAOQXKVCR-HKBOAZHASA-N 2 2 344.499 2.509 10 30 EFEELP C=CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000883224569 1293513621 /nfs/dbraw/zinc/51/36/21/1293513621.db2.gz OPTKEZAOQXKVCR-NJDAHSKKSA-N 2 2 344.499 2.509 10 30 EFEELP C=CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000883224569 1293513626 /nfs/dbraw/zinc/51/36/26/1293513626.db2.gz OPTKEZAOQXKVCR-NJDAHSKKSA-N 2 2 344.499 2.509 10 30 EFEELP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277883465 1313186926 /nfs/dbraw/zinc/18/69/26/1313186926.db2.gz IPVOZNPZVYLSLT-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001277893265 1313193073 /nfs/dbraw/zinc/19/30/73/1313193073.db2.gz IMYBRJANTDFRTH-MRXNPFEDSA-N 2 2 326.444 2.889 10 30 EFEELP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1O ZINC000925555198 1296851309 /nfs/dbraw/zinc/85/13/09/1296851309.db2.gz FODCXIASLYQEMH-OTWHNJEPSA-N 2 2 343.471 2.682 10 30 EFEELP C=C(C)C[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001490372949 1298787974 /nfs/dbraw/zinc/78/79/74/1298787974.db2.gz YPNKYXMKQIBVEE-UHFFFAOYSA-N 2 2 326.444 2.803 10 30 EFEELP C=C(C)C[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001490372949 1298787989 /nfs/dbraw/zinc/78/79/89/1298787989.db2.gz YPNKYXMKQIBVEE-UHFFFAOYSA-N 2 2 326.444 2.803 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001490443342 1298870333 /nfs/dbraw/zinc/87/03/33/1298870333.db2.gz ZBOONORCIMNIOX-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001490443342 1298870345 /nfs/dbraw/zinc/87/03/45/1298870345.db2.gz ZBOONORCIMNIOX-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490540500 1298949981 /nfs/dbraw/zinc/94/99/81/1298949981.db2.gz JSCXAJDFYXPGEI-PBHICJAKSA-N 2 2 326.444 2.802 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490540500 1298949998 /nfs/dbraw/zinc/94/99/98/1298949998.db2.gz JSCXAJDFYXPGEI-PBHICJAKSA-N 2 2 326.444 2.802 10 30 EFEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCCC(C)C)CC1 ZINC001278157240 1313723884 /nfs/dbraw/zinc/72/38/84/1313723884.db2.gz FDBJRMAHEQRTCW-UHFFFAOYSA-N 2 2 344.503 2.705 10 30 EFEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCCC(C)C)CC1 ZINC001278157240 1313723889 /nfs/dbraw/zinc/72/38/89/1313723889.db2.gz FDBJRMAHEQRTCW-UHFFFAOYSA-N 2 2 344.503 2.705 10 30 EFEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001278188236 1313761223 /nfs/dbraw/zinc/76/12/23/1313761223.db2.gz JBOFNPOOSGMPNH-QZTJIDSGSA-N 2 2 344.503 2.807 10 30 EFEELP C[NH+](C)CCOc1ccc(CNc2[nH]c3ccc(C#N)cc3[nH+]2)cc1 ZINC000865295356 1303210331 /nfs/dbraw/zinc/21/03/31/1303210331.db2.gz FJYRQUHTZWUFHL-UHFFFAOYSA-N 2 2 335.411 2.987 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C#N)c1O ZINC000866307361 1303597274 /nfs/dbraw/zinc/59/72/74/1303597274.db2.gz YXEZLJISJQQXNP-JVPBZIDWSA-N 2 2 343.471 2.682 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000900327262 1307979659 /nfs/dbraw/zinc/97/96/59/1307979659.db2.gz NTVRJBKQVZQLMJ-CYBMUJFWSA-N 2 2 336.505 2.821 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000900327262 1307979661 /nfs/dbraw/zinc/97/96/61/1307979661.db2.gz NTVRJBKQVZQLMJ-CYBMUJFWSA-N 2 2 336.505 2.821 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000900577764 1308344205 /nfs/dbraw/zinc/34/42/05/1308344205.db2.gz UXQGLBPHRUNLJM-INIZCTEOSA-N 2 2 331.460 2.526 10 30 EFEELP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(C#N)ccn1 ZINC000902727755 1312058153 /nfs/dbraw/zinc/05/81/53/1312058153.db2.gz BSOSZNZGEZLDKL-INIZCTEOSA-N 2 2 336.439 2.636 10 30 EFEELP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(C#N)ccn1 ZINC000902754310 1312078689 /nfs/dbraw/zinc/07/86/89/1312078689.db2.gz ZQRMEAHPCLKZSY-INIZCTEOSA-N 2 2 336.439 2.636 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001277473816 1312399928 /nfs/dbraw/zinc/39/99/28/1312399928.db2.gz JVFPCOFIUKIMJB-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001277473816 1312399931 /nfs/dbraw/zinc/39/99/31/1312399931.db2.gz JVFPCOFIUKIMJB-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001318204682 1328526860 /nfs/dbraw/zinc/52/68/60/1328526860.db2.gz RBMGUGSBJZXROM-HOTGVXAUSA-N 2 2 348.491 2.605 10 30 EFEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001318204682 1328526866 /nfs/dbraw/zinc/52/68/66/1328526866.db2.gz RBMGUGSBJZXROM-HOTGVXAUSA-N 2 2 348.491 2.605 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318260745 1328541343 /nfs/dbraw/zinc/54/13/43/1328541343.db2.gz LTDBXVQYBNJFTA-SJORKVTESA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318260745 1328541346 /nfs/dbraw/zinc/54/13/46/1328541346.db2.gz LTDBXVQYBNJFTA-SJORKVTESA-N 2 2 332.492 2.606 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278510793 1314999679 /nfs/dbraw/zinc/99/96/79/1314999679.db2.gz DCECFSXGLHODSJ-OXQOHEQNSA-N 2 2 345.487 2.816 10 30 EFEELP C#CC[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)Cc1ccccc1 ZINC001278532436 1315128114 /nfs/dbraw/zinc/12/81/14/1315128114.db2.gz DDSLNGCXCVNPNE-HXUWFJFHSA-N 2 2 349.478 2.961 10 30 EFEELP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001278611327 1315288181 /nfs/dbraw/zinc/28/81/81/1315288181.db2.gz VVQPVEWGYUVDAH-HZPDHXFCSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001278611327 1315288185 /nfs/dbraw/zinc/28/81/85/1315288185.db2.gz VVQPVEWGYUVDAH-HZPDHXFCSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278677515 1315489798 /nfs/dbraw/zinc/48/97/98/1315489798.db2.gz JMNFDNXFQFZVPN-HLIPFELVSA-N 2 2 344.503 2.708 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278677515 1315489800 /nfs/dbraw/zinc/48/98/00/1315489800.db2.gz JMNFDNXFQFZVPN-HLIPFELVSA-N 2 2 344.503 2.708 10 30 EFEELP CC#CC[N@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001278914962 1315909261 /nfs/dbraw/zinc/90/92/61/1315909261.db2.gz OPBAGRZRXAXDRD-UHFFFAOYSA-N 2 2 338.455 2.678 10 30 EFEELP CC#CC[N@@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001278914962 1315909264 /nfs/dbraw/zinc/90/92/64/1315909264.db2.gz OPBAGRZRXAXDRD-UHFFFAOYSA-N 2 2 338.455 2.678 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264183029 1316596551 /nfs/dbraw/zinc/59/65/51/1316596551.db2.gz FPIJBKXKXYPVJP-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264183029 1316596552 /nfs/dbraw/zinc/59/65/52/1316596552.db2.gz FPIJBKXKXYPVJP-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001264364449 1316605164 /nfs/dbraw/zinc/60/51/64/1316605164.db2.gz BUXVBUQXLASZGE-HKUYNNGSSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001264364449 1316605167 /nfs/dbraw/zinc/60/51/67/1316605167.db2.gz BUXVBUQXLASZGE-HKUYNNGSSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001264515062 1316625289 /nfs/dbraw/zinc/62/52/89/1316625289.db2.gz IZHZFAWLRKCGLY-SJORKVTESA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264682140 1316654883 /nfs/dbraw/zinc/65/48/83/1316654883.db2.gz QPLWVIIWFKDCNG-DLBZAZTESA-N 2 2 332.492 2.915 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264682140 1316654886 /nfs/dbraw/zinc/65/48/86/1316654886.db2.gz QPLWVIIWFKDCNG-DLBZAZTESA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001264683984 1316655820 /nfs/dbraw/zinc/65/58/20/1316655820.db2.gz PKJALLYGUJVAOI-IRXDYDNUSA-N 2 2 332.492 2.678 10 30 EFEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265393004 1316796997 /nfs/dbraw/zinc/79/69/97/1316796997.db2.gz PZXAMOSHVGTBPW-MRXNPFEDSA-N 2 2 326.444 2.694 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265393004 1316796999 /nfs/dbraw/zinc/79/69/99/1316796999.db2.gz PZXAMOSHVGTBPW-MRXNPFEDSA-N 2 2 326.444 2.694 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265393419 1316797504 /nfs/dbraw/zinc/79/75/04/1316797504.db2.gz YCXYNRPPHGKCRN-MSOLQXFVSA-N 2 2 332.492 2.798 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265393419 1316797507 /nfs/dbraw/zinc/79/75/07/1316797507.db2.gz YCXYNRPPHGKCRN-MSOLQXFVSA-N 2 2 332.492 2.798 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001265999415 1316945353 /nfs/dbraw/zinc/94/53/53/1316945353.db2.gz YXPQOFOGRJNGOV-WBVHZDCISA-N 2 2 331.460 2.568 10 30 EFEELP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266055724 1316982681 /nfs/dbraw/zinc/98/26/81/1316982681.db2.gz IWTPJEJXALKEKF-DLBZAZTESA-N 2 2 344.503 2.745 10 30 EFEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266106158 1317043578 /nfs/dbraw/zinc/04/35/78/1317043578.db2.gz ZILAPSWWIWVXAC-MRXNPFEDSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266106158 1317043588 /nfs/dbraw/zinc/04/35/88/1317043588.db2.gz ZILAPSWWIWVXAC-MRXNPFEDSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCCCCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001266195544 1317139128 /nfs/dbraw/zinc/13/91/28/1317139128.db2.gz VWZIFVPBIODLIX-UHFFFAOYSA-N 2 2 332.492 2.632 10 30 EFEELP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266219972 1317160686 /nfs/dbraw/zinc/16/06/86/1317160686.db2.gz LWIPHBKCMAWPOH-RBUKOAKNSA-N 2 2 344.503 2.854 10 30 EFEELP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266219972 1317160690 /nfs/dbraw/zinc/16/06/90/1317160690.db2.gz LWIPHBKCMAWPOH-RBUKOAKNSA-N 2 2 344.503 2.854 10 30 EFEELP C=C(C)C[NH2+]C[C@@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@@H]1C ZINC001318742291 1328682333 /nfs/dbraw/zinc/68/23/33/1328682333.db2.gz BGENJCSMULHNBR-LPHOPBHVSA-N 2 2 332.492 2.584 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001279250521 1317218321 /nfs/dbraw/zinc/21/83/21/1317218321.db2.gz XIEXDFRTRRHIDC-OOHWJJMZSA-N 2 2 331.460 2.566 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279591906 1317318440 /nfs/dbraw/zinc/31/84/40/1317318440.db2.gz QQUVNDBWNQRWOR-AEFFLSMTSA-N 2 2 342.487 2.549 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279591906 1317318448 /nfs/dbraw/zinc/31/84/48/1317318448.db2.gz QQUVNDBWNQRWOR-AEFFLSMTSA-N 2 2 342.487 2.549 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001316599011 1317392894 /nfs/dbraw/zinc/39/28/94/1317392894.db2.gz NXDONCUETLZEMC-ROUUACIJSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001316599011 1317392902 /nfs/dbraw/zinc/39/29/02/1317392902.db2.gz NXDONCUETLZEMC-ROUUACIJSA-N 2 2 346.519 2.949 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001280082793 1317448451 /nfs/dbraw/zinc/44/84/51/1317448451.db2.gz FZNRZQLHNSNOIK-MSOLQXFVSA-N 2 2 332.492 2.875 10 30 EFEELP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001280325051 1317506507 /nfs/dbraw/zinc/50/65/07/1317506507.db2.gz POIUUTMZMSDBHZ-UHFFFAOYSA-N 2 2 346.434 2.948 10 30 EFEELP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001280325051 1317506510 /nfs/dbraw/zinc/50/65/10/1317506510.db2.gz 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ZINC001317676345 1328273071 /nfs/dbraw/zinc/27/30/71/1328273071.db2.gz PNQCESVXHJHJKO-WMZOPIPTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001323152436 1329517428 /nfs/dbraw/zinc/51/74/28/1329517428.db2.gz VWXUVTJFZXTTMI-DLBZAZTESA-N 2 2 332.492 2.536 10 30 EFEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001323735747 1329566495 /nfs/dbraw/zinc/56/64/95/1329566495.db2.gz DFXZBNLABMOFJM-INIZCTEOSA-N 2 2 330.476 2.723 10 30 EFEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001323735747 1329566496 /nfs/dbraw/zinc/56/64/96/1329566496.db2.gz DFXZBNLABMOFJM-INIZCTEOSA-N 2 2 330.476 2.723 10 30 EFEELP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323859788 1329580304 /nfs/dbraw/zinc/58/03/04/1329580304.db2.gz YFNCAXJTDKQSEO-UYAOXDASSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323859788 1329580306 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UCOUZMIJNRAUNT-FJIDUMEYSA-N 2 2 330.476 2.770 10 30 EFEELP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001325630228 1329702557 /nfs/dbraw/zinc/70/25/57/1329702557.db2.gz UCOUZMIJNRAUNT-FJIDUMEYSA-N 2 2 330.476 2.770 10 30 EFEELP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001325631329 1329702563 /nfs/dbraw/zinc/70/25/63/1329702563.db2.gz BMTIFMZGWMQQTQ-BCDXTJNWSA-N 2 2 344.503 2.862 10 30 EFEELP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001325631329 1329702565 /nfs/dbraw/zinc/70/25/65/1329702565.db2.gz BMTIFMZGWMQQTQ-BCDXTJNWSA-N 2 2 344.503 2.862 10 30 EFEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001326482775 1329759835 /nfs/dbraw/zinc/75/98/35/1329759835.db2.gz ZRKKAJBNVBOBHK-MRXNPFEDSA-N 2 2 340.471 2.896 10 30 EFEELP C=C(C)C[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001327240289 1330445667 /nfs/dbraw/zinc/44/56/67/1330445667.db2.gz ZCEUSGLZRJUNFL-UHFFFAOYSA-N 2 2 326.444 2.842 10 30 EFEELP C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001327240289 1330445670 /nfs/dbraw/zinc/44/56/70/1330445670.db2.gz ZCEUSGLZRJUNFL-UHFFFAOYSA-N 2 2 326.444 2.842 10 30 EFEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001327462290 1330481987 /nfs/dbraw/zinc/48/19/87/1330481987.db2.gz OWDCOVRMEHOFOU-QGZVFWFLSA-N 2 2 344.503 2.773 10 30 EFEELP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001327694795 1330509542 /nfs/dbraw/zinc/50/95/42/1330509542.db2.gz CQVHVKLIPKOAJX-KRWDZBQOSA-N 2 2 339.483 2.516 10 30 EFEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001327694795 1330509545 /nfs/dbraw/zinc/50/95/45/1330509545.db2.gz CQVHVKLIPKOAJX-KRWDZBQOSA-N 2 2 339.483 2.516 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328281376 1330581155 /nfs/dbraw/zinc/58/11/55/1330581155.db2.gz CGNBCFJMGJSYES-DLBZAZTESA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328281376 1330581157 /nfs/dbraw/zinc/58/11/57/1330581157.db2.gz CGNBCFJMGJSYES-DLBZAZTESA-N 2 2 332.492 2.678 10 30 EFEELP C=CCC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001328509075 1330598510 /nfs/dbraw/zinc/59/85/10/1330598510.db2.gz DBHPQKFGCSHUGJ-UHFFFAOYSA-N 2 2 344.503 2.944 10 30 EFEELP C=CC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001328510430 1330598926 /nfs/dbraw/zinc/59/89/26/1330598926.db2.gz YJVVCKKGOYVNQT-UHFFFAOYSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778551 1330630525 /nfs/dbraw/zinc/63/05/25/1330630525.db2.gz AHDIDXKGSJNRKO-HOTGVXAUSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778551 1330630528 /nfs/dbraw/zinc/63/05/28/1330630528.db2.gz AHDIDXKGSJNRKO-HOTGVXAUSA-N 2 2 332.492 2.965 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329091199 1330665972 /nfs/dbraw/zinc/66/59/72/1330665972.db2.gz SCFSQTFLOGNTGV-JKSUJKDBSA-N 2 2 326.444 2.935 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001329742357 1330732467 /nfs/dbraw/zinc/73/24/67/1330732467.db2.gz MYTANOYSCBOYJZ-HKUYNNGSSA-N 2 2 346.519 2.874 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001331279551 1330814955 /nfs/dbraw/zinc/81/49/55/1330814955.db2.gz DHKMDCWSYLALCP-KRWDZBQOSA-N 2 2 326.444 2.659 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001332209698 1330941117 /nfs/dbraw/zinc/94/11/17/1330941117.db2.gz ZAUVMMPANYKGOH-FUHWJXTLSA-N 2 2 334.508 2.902 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001332209698 1330941120 /nfs/dbraw/zinc/94/11/20/1330941120.db2.gz ZAUVMMPANYKGOH-FUHWJXTLSA-N 2 2 334.508 2.902 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001332276279 1330951641 /nfs/dbraw/zinc/95/16/41/1330951641.db2.gz BHHIAZQJMSVCPZ-HOTGVXAUSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001332310919 1330956463 /nfs/dbraw/zinc/95/64/63/1330956463.db2.gz QJEUKCILTJLIQO-DLBZAZTESA-N 2 2 340.471 2.636 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332710093 1331006637 /nfs/dbraw/zinc/00/66/37/1331006637.db2.gz BRGDHUNFFLMWLH-ZWKOTPCHSA-N 2 2 346.519 2.969 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332710093 1331006642 /nfs/dbraw/zinc/00/66/42/1331006642.db2.gz BRGDHUNFFLMWLH-ZWKOTPCHSA-N 2 2 346.519 2.969 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001333013502 1331065474 /nfs/dbraw/zinc/06/54/74/1331065474.db2.gz HXJJCUSSXWRZRL-INIZCTEOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[C@@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001341056470 1332230743 /nfs/dbraw/zinc/23/07/43/1332230743.db2.gz KJKRHMOXLUYEQD-LJQANCHMSA-N 2 2 329.488 2.666 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001366220414 1337454133 /nfs/dbraw/zinc/45/41/33/1337454133.db2.gz NLBWTSOPMHTYCW-OAHLLOKOSA-N 2 2 338.883 2.650 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703070 1337893279 /nfs/dbraw/zinc/89/32/79/1337893279.db2.gz FZPBZXUKWDCPGI-WMZOPIPTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703070 1337893285 /nfs/dbraw/zinc/89/32/85/1337893285.db2.gz FZPBZXUKWDCPGI-WMZOPIPTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001366703070 1337893291 /nfs/dbraw/zinc/89/32/91/1337893291.db2.gz FZPBZXUKWDCPGI-WMZOPIPTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001366703070 1337893294 /nfs/dbraw/zinc/89/32/94/1337893294.db2.gz FZPBZXUKWDCPGI-WMZOPIPTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001366787712 1338006280 /nfs/dbraw/zinc/00/62/80/1338006280.db2.gz ZWHNSLBEOZAUNV-CYBMUJFWSA-N 2 2 338.883 2.657 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001373712054 1341116570 /nfs/dbraw/zinc/11/65/70/1341116570.db2.gz HKUOLHUTPPHGIS-JKSUJKDBSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001373712054 1341116571 /nfs/dbraw/zinc/11/65/71/1341116571.db2.gz HKUOLHUTPPHGIS-JKSUJKDBSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001373712054 1341116572 /nfs/dbraw/zinc/11/65/72/1341116572.db2.gz HKUOLHUTPPHGIS-JKSUJKDBSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001373712054 1341116573 /nfs/dbraw/zinc/11/65/73/1341116573.db2.gz HKUOLHUTPPHGIS-JKSUJKDBSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001374386110 1341837363 /nfs/dbraw/zinc/83/73/63/1341837363.db2.gz BVKNPTCXSBKKDS-UONOGXRCSA-N 2 2 338.883 2.657 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001380661060 1347796898 /nfs/dbraw/zinc/79/68/98/1347796898.db2.gz ZMUPKXYTZVYODJ-ZWKOTPCHSA-N 2 2 349.906 2.843 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001380661060 1347796903 /nfs/dbraw/zinc/79/69/03/1347796903.db2.gz ZMUPKXYTZVYODJ-ZWKOTPCHSA-N 2 2 349.906 2.843 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001401763949 1363099719 /nfs/dbraw/zinc/09/97/19/1363099719.db2.gz PCBHIGBQCQNUFH-CQSZACIVSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001401763949 1363099722 /nfs/dbraw/zinc/09/97/22/1363099722.db2.gz PCBHIGBQCQNUFH-CQSZACIVSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001401763949 1363099727 /nfs/dbraw/zinc/09/97/27/1363099727.db2.gz PCBHIGBQCQNUFH-CQSZACIVSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001401763949 1363099732 /nfs/dbraw/zinc/09/97/32/1363099732.db2.gz PCBHIGBQCQNUFH-CQSZACIVSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001393498263 1356899481 /nfs/dbraw/zinc/89/94/81/1356899481.db2.gz SYSLQKQMHBEZDG-AWEZNQCLSA-N 2 2 332.835 2.603 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001404014702 1365169029 /nfs/dbraw/zinc/16/90/29/1365169029.db2.gz YKBZCZHTMOZVKX-HOTGVXAUSA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001404014702 1365169031 /nfs/dbraw/zinc/16/90/31/1365169031.db2.gz YKBZCZHTMOZVKX-HOTGVXAUSA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001404380991 1365486097 /nfs/dbraw/zinc/48/60/97/1365486097.db2.gz QJLCGGWMHFTUSC-HUUCEWRRSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001437710707 1387957964 /nfs/dbraw/zinc/95/79/64/1387957964.db2.gz XVWPPMOANODBMD-CABCVRRESA-N 2 2 338.883 2.587 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001437710707 1387957966 /nfs/dbraw/zinc/95/79/66/1387957966.db2.gz XVWPPMOANODBMD-CABCVRRESA-N 2 2 338.883 2.587 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001437710710 1387958177 /nfs/dbraw/zinc/95/81/77/1387958177.db2.gz XVWPPMOANODBMD-GJZGRUSLSA-N 2 2 338.883 2.587 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001437710710 1387958181 /nfs/dbraw/zinc/95/81/81/1387958181.db2.gz XVWPPMOANODBMD-GJZGRUSLSA-N 2 2 338.883 2.587 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001437926989 1388236073 /nfs/dbraw/zinc/23/60/73/1388236073.db2.gz DCVBTDKWVSVVMG-OAHLLOKOSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001437926989 1388236080 /nfs/dbraw/zinc/23/60/80/1388236080.db2.gz DCVBTDKWVSVVMG-OAHLLOKOSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140099 1373666117 /nfs/dbraw/zinc/66/61/17/1373666117.db2.gz UCUKWRZOSQOFCA-AEFFLSMTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140099 1373666119 /nfs/dbraw/zinc/66/61/19/1373666119.db2.gz UCUKWRZOSQOFCA-AEFFLSMTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418158477 1373699928 /nfs/dbraw/zinc/69/99/28/1373699928.db2.gz MQWNWZYWZYHZMW-IAGOWNOFSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418158477 1373699935 /nfs/dbraw/zinc/69/99/35/1373699935.db2.gz MQWNWZYWZYHZMW-IAGOWNOFSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 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C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001501427314 1403601559 /nfs/dbraw/zinc/60/15/59/1403601559.db2.gz GZFQQOWALIGUQV-UWWQBHOKSA-N 2 2 330.476 2.538 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501582326 1403636536 /nfs/dbraw/zinc/63/65/36/1403636536.db2.gz SZDLRRDVFOAJKU-HNNXBMFYSA-N 2 2 326.444 2.971 10 30 EFEELP C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001501856843 1403832665 /nfs/dbraw/zinc/83/26/65/1403832665.db2.gz JHRSPBMYYSXJJY-UHFFFAOYSA-N 2 2 347.890 2.509 10 30 EFEELP C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001501856843 1403832671 /nfs/dbraw/zinc/83/26/71/1403832671.db2.gz JHRSPBMYYSXJJY-UHFFFAOYSA-N 2 2 347.890 2.509 10 30 EFEELP C=CCC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001502498542 1404201022 /nfs/dbraw/zinc/20/10/22/1404201022.db2.gz ZHHQJWSVRSJQAK-UHFFFAOYSA-N 2 2 331.460 2.570 10 30 EFEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001505397315 1404549460 /nfs/dbraw/zinc/54/94/60/1404549460.db2.gz AXXBURRHJZPISA-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001505397315 1404549466 /nfs/dbraw/zinc/54/94/66/1404549466.db2.gz AXXBURRHJZPISA-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001725751882 1425817956 /nfs/dbraw/zinc/81/79/56/1425817956.db2.gz TYMJABNBKXJREV-QGZVFWFLSA-N 2 2 342.487 2.882 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001565819970 1415419201 /nfs/dbraw/zinc/41/92/01/1415419201.db2.gz WCTDEZXWCXXVDS-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001565819970 1415419205 /nfs/dbraw/zinc/41/92/05/1415419205.db2.gz WCTDEZXWCXXVDS-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001565994224 1415473932 /nfs/dbraw/zinc/47/39/32/1415473932.db2.gz CFMUVFFLOYQWEU-NZSAHSFTSA-N 2 2 344.503 2.914 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001565994224 1415473935 /nfs/dbraw/zinc/47/39/35/1415473935.db2.gz CFMUVFFLOYQWEU-NZSAHSFTSA-N 2 2 344.503 2.914 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001565994224 1415473937 /nfs/dbraw/zinc/47/39/37/1415473937.db2.gz CFMUVFFLOYQWEU-NZSAHSFTSA-N 2 2 344.503 2.914 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001565994224 1415473940 /nfs/dbraw/zinc/47/39/40/1415473940.db2.gz CFMUVFFLOYQWEU-NZSAHSFTSA-N 2 2 344.503 2.914 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001566071145 1415502420 /nfs/dbraw/zinc/50/24/20/1415502420.db2.gz LPVQRNNXNSGHCB-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001566697741 1415737726 /nfs/dbraw/zinc/73/77/26/1415737726.db2.gz LNHYWJOYEQYBNS-QGZVFWFLSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001567192688 1415984525 /nfs/dbraw/zinc/98/45/25/1415984525.db2.gz FOUSLPOCBRPJSL-QGZVFWFLSA-N 2 2 332.492 2.816 10 30 EFEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001567192688 1415984526 /nfs/dbraw/zinc/98/45/26/1415984526.db2.gz FOUSLPOCBRPJSL-QGZVFWFLSA-N 2 2 332.492 2.816 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001567634396 1416219274 /nfs/dbraw/zinc/21/92/74/1416219274.db2.gz VBVXGAHJMLIWMB-HZPDHXFCSA-N 2 2 332.492 2.534 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001567684875 1416246884 /nfs/dbraw/zinc/24/68/84/1416246884.db2.gz PRAASKLWQAXHGZ-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001567684875 1416246886 /nfs/dbraw/zinc/24/68/86/1416246886.db2.gz PRAASKLWQAXHGZ-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001567748210 1416270592 /nfs/dbraw/zinc/27/05/92/1416270592.db2.gz BSLZBPQWDHQWKT-LJQANCHMSA-N 2 2 344.503 2.664 10 30 EFEELP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001567748210 1416270597 /nfs/dbraw/zinc/27/05/97/1416270597.db2.gz BSLZBPQWDHQWKT-LJQANCHMSA-N 2 2 344.503 2.664 10 30 EFEELP C=CCCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001568044463 1416374259 /nfs/dbraw/zinc/37/42/59/1416374259.db2.gz YHWCFLHINBNOPR-APWZRJJASA-N 2 2 332.492 2.584 10 30 EFEELP C=CCCC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001568044466 1416374277 /nfs/dbraw/zinc/37/42/77/1416374277.db2.gz YHWCFLHINBNOPR-VQIMIIECSA-N 2 2 332.492 2.584 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001568069344 1416392836 /nfs/dbraw/zinc/39/28/36/1416392836.db2.gz MHXNILFLLGQVSG-JKSUJKDBSA-N 2 2 338.883 2.805 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001568426684 1416528462 /nfs/dbraw/zinc/52/84/62/1416528462.db2.gz KBSLYYGNIJGATO-WBVHZDCISA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001568426683 1416528735 /nfs/dbraw/zinc/52/87/35/1416528735.db2.gz KBSLYYGNIJGATO-RDJZCZTQSA-N 2 2 326.444 2.741 10 30 EFEELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(C#N)CC3)C2)ccn1 ZINC001646006448 1416599533 /nfs/dbraw/zinc/59/95/33/1416599533.db2.gz PWWXJYSPFMGJPN-SFHVURJKSA-N 2 2 328.460 2.679 10 30 EFEELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(C#N)CC3)C2)ccn1 ZINC001646006448 1416599538 /nfs/dbraw/zinc/59/95/38/1416599538.db2.gz PWWXJYSPFMGJPN-SFHVURJKSA-N 2 2 328.460 2.679 10 30 EFEELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3(C#N)CC3)C2)ccn1 ZINC001646006448 1416599543 /nfs/dbraw/zinc/59/95/43/1416599543.db2.gz PWWXJYSPFMGJPN-SFHVURJKSA-N 2 2 328.460 2.679 10 30 EFEELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3(C#N)CC3)C2)ccn1 ZINC001646006448 1416599549 /nfs/dbraw/zinc/59/95/49/1416599549.db2.gz PWWXJYSPFMGJPN-SFHVURJKSA-N 2 2 328.460 2.679 10 30 EFEELP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001690718354 1417229926 /nfs/dbraw/zinc/22/99/26/1417229926.db2.gz GEQFYWBEDDIONX-ZWKOTPCHSA-N 2 2 344.503 2.630 10 30 EFEELP C#CC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001691792225 1417247637 /nfs/dbraw/zinc/24/76/37/1417247637.db2.gz LUCVGTNPTWMXGE-HXUWFJFHSA-N 2 2 344.418 2.566 10 30 EFEELP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001692017170 1417253613 /nfs/dbraw/zinc/25/36/13/1417253613.db2.gz VOWQPSACBCXFDA-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001692017170 1417253615 /nfs/dbraw/zinc/25/36/15/1417253615.db2.gz VOWQPSACBCXFDA-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001692283184 1417274576 /nfs/dbraw/zinc/27/45/76/1417274576.db2.gz LKFPWEYMJXICEN-QGZVFWFLSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001692283184 1417274579 /nfs/dbraw/zinc/27/45/79/1417274579.db2.gz LKFPWEYMJXICEN-QGZVFWFLSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001699014710 1417368776 /nfs/dbraw/zinc/36/87/76/1417368776.db2.gz IHJZKGASBBZMBI-QZTJIDSGSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001699014710 1417368779 /nfs/dbraw/zinc/36/87/79/1417368779.db2.gz IHJZKGASBBZMBI-QZTJIDSGSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001699014711 1417369540 /nfs/dbraw/zinc/36/95/40/1417369540.db2.gz IHJZKGASBBZMBI-ROUUACIJSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001699014711 1417369541 /nfs/dbraw/zinc/36/95/41/1417369541.db2.gz IHJZKGASBBZMBI-ROUUACIJSA-N 2 2 330.476 2.552 10 30 EFEELP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001699688312 1417453144 /nfs/dbraw/zinc/45/31/44/1417453144.db2.gz CKEXUXSMYGQPHX-QGZVFWFLSA-N 2 2 342.487 2.561 10 30 EFEELP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001699688312 1417453147 /nfs/dbraw/zinc/45/31/47/1417453147.db2.gz CKEXUXSMYGQPHX-QGZVFWFLSA-N 2 2 342.487 2.561 10 30 EFEELP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699869941 1417487329 /nfs/dbraw/zinc/48/73/29/1417487329.db2.gz WERZXFWOUOZOEK-UYAOXDASSA-N 2 2 344.503 2.712 10 30 EFEELP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699869941 1417487331 /nfs/dbraw/zinc/48/73/31/1417487331.db2.gz WERZXFWOUOZOEK-UYAOXDASSA-N 2 2 344.503 2.712 10 30 EFEELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001700405515 1417590865 /nfs/dbraw/zinc/59/08/65/1417590865.db2.gz QWLVJCVJTLEULB-JKSUJKDBSA-N 2 2 346.434 2.711 10 30 EFEELP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001713162589 1418346905 /nfs/dbraw/zinc/34/69/05/1418346905.db2.gz 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2.840 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001715398055 1418670749 /nfs/dbraw/zinc/67/07/49/1418670749.db2.gz AJUCKLKLRQMRRJ-MSOLQXFVSA-N 2 2 344.503 2.676 10 30 EFEELP CC#CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001715398644 1418670794 /nfs/dbraw/zinc/67/07/94/1418670794.db2.gz FGIFMKMXGYDOKT-LJQANCHMSA-N 2 2 338.455 2.855 10 30 EFEELP N#Cc1ccccc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716310849 1418766229 /nfs/dbraw/zinc/76/62/29/1418766229.db2.gz TXAUMQSRYGBJDZ-ONEGZZNKSA-N 2 2 345.406 2.510 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CC ZINC001716638732 1418933912 /nfs/dbraw/zinc/93/39/12/1418933912.db2.gz DPLQQOXBIKECDX-FUHWJXTLSA-N 2 2 332.492 2.536 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCCC1 ZINC001716713236 1418968737 /nfs/dbraw/zinc/96/87/37/1418968737.db2.gz FIEVIMXVOXPZKT-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCCC1 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C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001666152202 1104884365 /nfs/dbraw/zinc/88/43/65/1104884365.db2.gz MZGWXVUVWSKPKN-UKRRQHHQSA-N 2 2 338.883 2.559 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001666152202 1104884372 /nfs/dbraw/zinc/88/43/72/1104884372.db2.gz MZGWXVUVWSKPKN-UKRRQHHQSA-N 2 2 338.883 2.559 10 30 EFEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001667202254 1105079041 /nfs/dbraw/zinc/07/90/41/1105079041.db2.gz AQBQJIWLTDDTRY-WMZOPIPTSA-N 2 2 334.508 2.760 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001667379888 1105132453 /nfs/dbraw/zinc/13/24/53/1105132453.db2.gz DGALUALLLUESGQ-FUHWJXTLSA-N 2 2 345.487 2.816 10 30 EFEELP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001667392857 1105137573 /nfs/dbraw/zinc/13/75/73/1105137573.db2.gz FQZGYZFFIRGEJG-QAPCUYQASA-N 2 2 340.471 2.588 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001669962022 1105556798 /nfs/dbraw/zinc/55/67/98/1105556798.db2.gz QYHNMLGFAFWWHK-IRXDYDNUSA-N 2 2 332.492 2.767 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001671764190 1105698346 /nfs/dbraw/zinc/69/83/46/1105698346.db2.gz XJPKGEPHJRGVOU-QFBILLFUSA-N 2 2 332.492 2.536 10 30 EFEELP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001672176321 1105766322 /nfs/dbraw/zinc/76/63/22/1105766322.db2.gz IGTUTSJNEQMSOS-VQTJNVASSA-N 2 2 341.499 2.504 10 30 EFEELP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1CC ZINC001672176321 1105766327 /nfs/dbraw/zinc/76/63/27/1105766327.db2.gz IGTUTSJNEQMSOS-VQTJNVASSA-N 2 2 341.499 2.504 10 30 EFEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001672880693 1105927847 /nfs/dbraw/zinc/92/78/47/1105927847.db2.gz XJWPLXXGCDVLTR-KRWDZBQOSA-N 2 2 340.471 2.590 10 30 EFEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001673602342 1106054351 /nfs/dbraw/zinc/05/43/51/1106054351.db2.gz ZYZVSPXYJBKRQW-UHFFFAOYSA-N 2 2 345.487 2.960 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC001674024145 1106124125 /nfs/dbraw/zinc/12/41/25/1106124125.db2.gz WGIZIERRQFJTBB-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC001674024145 1106124128 /nfs/dbraw/zinc/12/41/28/1106124128.db2.gz WGIZIERRQFJTBB-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001674804805 1106260007 /nfs/dbraw/zinc/26/00/07/1106260007.db2.gz VVHNFDLDLDXAJH-OPQOLIRYSA-N 2 2 344.503 2.849 10 30 EFEELP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001675521899 1106378630 /nfs/dbraw/zinc/37/86/30/1106378630.db2.gz FSBBBHDZZNICLO-AKHDSKFASA-N 2 2 344.503 2.731 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001675521899 1106378633 /nfs/dbraw/zinc/37/86/33/1106378633.db2.gz FSBBBHDZZNICLO-AKHDSKFASA-N 2 2 344.503 2.731 10 30 EFEELP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001676368422 1106520525 /nfs/dbraw/zinc/52/05/25/1106520525.db2.gz FMEMPLXFKWYFFN-INIZCTEOSA-N 2 2 346.434 2.665 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001272309443 1107736607 /nfs/dbraw/zinc/73/66/07/1107736607.db2.gz FRFBUGBGWZZFDY-FUHWJXTLSA-N 2 2 340.471 2.636 10 30 EFEELP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924630594 1107987425 /nfs/dbraw/zinc/98/74/25/1107987425.db2.gz HGEJQPSXJFUWFT-OALUTQOASA-N 2 2 344.503 2.577 10 30 EFEELP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001272511633 1108593232 /nfs/dbraw/zinc/59/32/32/1108593232.db2.gz DVFLGMVKZWZQBM-QGZVFWFLSA-N 2 2 338.455 2.890 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001272670690 1112337501 /nfs/dbraw/zinc/33/75/01/1112337501.db2.gz XBUWNVXGIFMAMW-UHFFFAOYSA-N 2 2 326.444 2.667 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001272670690 1112337506 /nfs/dbraw/zinc/33/75/06/1112337506.db2.gz XBUWNVXGIFMAMW-UHFFFAOYSA-N 2 2 326.444 2.667 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001272670690 1112337510 /nfs/dbraw/zinc/33/75/10/1112337510.db2.gz XBUWNVXGIFMAMW-UHFFFAOYSA-N 2 2 326.444 2.667 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001272670690 1112337515 /nfs/dbraw/zinc/33/75/15/1112337515.db2.gz XBUWNVXGIFMAMW-UHFFFAOYSA-N 2 2 326.444 2.667 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001483873606 1112533978 /nfs/dbraw/zinc/53/39/78/1112533978.db2.gz XKLFQAIHDPSJFT-MRXNPFEDSA-N 2 2 338.455 2.983 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001483934783 1112576415 /nfs/dbraw/zinc/57/64/15/1112576415.db2.gz PXXYBOPQVFMXOT-WBVHZDCISA-N 2 2 331.460 2.568 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001483934756 1112576496 /nfs/dbraw/zinc/57/64/96/1112576496.db2.gz PXXYBOPQVFMXOT-RDJZCZTQSA-N 2 2 331.460 2.568 10 30 EFEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483991489 1112625590 /nfs/dbraw/zinc/62/55/90/1112625590.db2.gz AMMARJAXHQBHOQ-UHFFFAOYSA-N 2 2 342.487 2.556 10 30 EFEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CCCC=C)CC1 ZINC001483987658 1112632691 /nfs/dbraw/zinc/63/26/91/1112632691.db2.gz YUUCJMRDHCLEBU-GOSISDBHSA-N 2 2 342.487 2.727 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484144047 1112820895 /nfs/dbraw/zinc/82/08/95/1112820895.db2.gz WWOSNFDSYBPZDI-MRXNPFEDSA-N 2 2 332.492 2.773 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484144047 1112820901 /nfs/dbraw/zinc/82/09/01/1112820901.db2.gz WWOSNFDSYBPZDI-MRXNPFEDSA-N 2 2 332.492 2.773 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484164223 1112848465 /nfs/dbraw/zinc/84/84/65/1112848465.db2.gz SINARCQRFZNMRU-IBGZPJMESA-N 2 2 326.444 2.971 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484164223 1112848468 /nfs/dbraw/zinc/84/84/68/1112848468.db2.gz SINARCQRFZNMRU-IBGZPJMESA-N 2 2 326.444 2.971 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001484557371 1113010122 /nfs/dbraw/zinc/01/01/22/1113010122.db2.gz KJFJCNPFROCJMM-HNNXBMFYSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484557371 1113010126 /nfs/dbraw/zinc/01/01/26/1113010126.db2.gz KJFJCNPFROCJMM-HNNXBMFYSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001484557371 1113010130 /nfs/dbraw/zinc/01/01/30/1113010130.db2.gz KJFJCNPFROCJMM-HNNXBMFYSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001484557371 1113010135 /nfs/dbraw/zinc/01/01/35/1113010135.db2.gz KJFJCNPFROCJMM-HNNXBMFYSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484557953 1113011021 /nfs/dbraw/zinc/01/10/21/1113011021.db2.gz XAPMVHLLXRTGSY-INIZCTEOSA-N 2 2 340.471 2.913 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484557953 1113011024 /nfs/dbraw/zinc/01/10/24/1113011024.db2.gz XAPMVHLLXRTGSY-INIZCTEOSA-N 2 2 340.471 2.913 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484557953 1113011027 /nfs/dbraw/zinc/01/10/27/1113011027.db2.gz XAPMVHLLXRTGSY-INIZCTEOSA-N 2 2 340.471 2.913 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484557953 1113011031 /nfs/dbraw/zinc/01/10/31/1113011031.db2.gz XAPMVHLLXRTGSY-INIZCTEOSA-N 2 2 340.471 2.913 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001484827688 1117745690 /nfs/dbraw/zinc/74/56/90/1117745690.db2.gz SURWUUQDEBPPEC-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001484827688 1117745695 /nfs/dbraw/zinc/74/56/95/1117745695.db2.gz SURWUUQDEBPPEC-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001485004895 1117934026 /nfs/dbraw/zinc/93/40/26/1117934026.db2.gz STTMHGQYMXGNDH-IBGZPJMESA-N 2 2 338.455 2.565 10 30 EFEELP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001485004895 1117934028 /nfs/dbraw/zinc/93/40/28/1117934028.db2.gz STTMHGQYMXGNDH-IBGZPJMESA-N 2 2 338.455 2.565 10 30 EFEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485062008 1118003602 /nfs/dbraw/zinc/00/36/02/1118003602.db2.gz WIESGCYDHHTRLU-LJQANCHMSA-N 2 2 338.455 2.985 10 30 EFEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485062008 1118003605 /nfs/dbraw/zinc/00/36/05/1118003605.db2.gz WIESGCYDHHTRLU-LJQANCHMSA-N 2 2 338.455 2.985 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001485084940 1118025030 /nfs/dbraw/zinc/02/50/30/1118025030.db2.gz YRBLDKIXSYIRRT-QZTJIDSGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001485084940 1118025036 /nfs/dbraw/zinc/02/50/36/1118025036.db2.gz YRBLDKIXSYIRRT-QZTJIDSGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001485084940 1118025041 /nfs/dbraw/zinc/02/50/41/1118025041.db2.gz YRBLDKIXSYIRRT-QZTJIDSGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001485084940 1118025046 /nfs/dbraw/zinc/02/50/46/1118025046.db2.gz YRBLDKIXSYIRRT-QZTJIDSGSA-N 2 2 344.503 2.869 10 30 EFEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001485452481 1118364710 /nfs/dbraw/zinc/36/47/10/1118364710.db2.gz FLMJDMDGXDFIMP-KRWDZBQOSA-N 2 2 344.503 2.820 10 30 EFEELP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001485665999 1118514738 /nfs/dbraw/zinc/51/47/38/1118514738.db2.gz VNRSTEKVUGJXRP-UHFFFAOYSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001485665999 1118514740 /nfs/dbraw/zinc/51/47/40/1118514740.db2.gz VNRSTEKVUGJXRP-UHFFFAOYSA-N 2 2 330.476 2.554 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042111 1118663709 /nfs/dbraw/zinc/66/37/09/1118663709.db2.gz WPSHNEPMZFFHOM-NUJGCVRESA-N 2 2 344.503 2.707 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042111 1118663711 /nfs/dbraw/zinc/66/37/11/1118663711.db2.gz WPSHNEPMZFFHOM-NUJGCVRESA-N 2 2 344.503 2.707 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485815578 1119130227 /nfs/dbraw/zinc/13/02/27/1119130227.db2.gz MDGQLTOKMAXDOL-SFHVURJKSA-N 2 2 326.444 2.969 10 30 EFEELP CCc1nc(CNC(=[NH+]C)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000159991874 529735627 /nfs/dbraw/zinc/73/56/27/529735627.db2.gz KJGBITIMJPJUFC-ZFWWWQNUSA-N 2 2 346.504 2.561 10 30 EFEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249868646 240303197 /nfs/dbraw/zinc/30/31/97/240303197.db2.gz IYOMAFBCHHQMNH-IRXDYDNUSA-N 2 2 330.476 2.629 10 30 EFEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249868646 240303206 /nfs/dbraw/zinc/30/32/06/240303206.db2.gz IYOMAFBCHHQMNH-IRXDYDNUSA-N 2 2 330.476 2.629 10 30 EFEELP C[NH+](C)CC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000329557386 241394518 /nfs/dbraw/zinc/39/45/18/241394518.db2.gz HROUAIDCTBGBNE-QGZVFWFLSA-N 2 2 346.475 2.571 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364631491 242302927 /nfs/dbraw/zinc/30/29/27/242302927.db2.gz PCVHKJSHCHMKMO-OAHLLOKOSA-N 2 2 344.503 2.795 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364631491 242302933 /nfs/dbraw/zinc/30/29/33/242302933.db2.gz PCVHKJSHCHMKMO-OAHLLOKOSA-N 2 2 344.503 2.795 10 30 EFEELP C=C(C)COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1OC ZINC000449392179 251009329 /nfs/dbraw/zinc/00/93/29/251009329.db2.gz JKXNPTMHTWLECO-GOSISDBHSA-N 2 2 348.487 2.587 10 30 EFEELP C=C(C)COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1OC ZINC000449392179 251009332 /nfs/dbraw/zinc/00/93/32/251009332.db2.gz JKXNPTMHTWLECO-GOSISDBHSA-N 2 2 348.487 2.587 10 30 EFEELP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000449398646 251015688 /nfs/dbraw/zinc/01/56/88/251015688.db2.gz YNWLSBNUNWBHIU-MRXNPFEDSA-N 2 2 338.879 2.841 10 30 EFEELP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000449398646 251015690 /nfs/dbraw/zinc/01/56/90/251015690.db2.gz YNWLSBNUNWBHIU-MRXNPFEDSA-N 2 2 338.879 2.841 10 30 EFEELP N#Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000374211187 151301385 /nfs/dbraw/zinc/30/13/85/151301385.db2.gz YZKVVIGAZLHHCF-UHFFFAOYSA-N 2 2 343.818 2.753 10 30 EFEELP N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)cc1 ZINC000374207284 151301701 /nfs/dbraw/zinc/30/17/01/151301701.db2.gz ILJOSWWKSVBEHN-UHFFFAOYSA-N 2 2 334.383 2.711 10 30 EFEELP Cc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301668584 267347300 /nfs/dbraw/zinc/34/73/00/267347300.db2.gz MPNIYTSLBGVNCB-UHFFFAOYSA-N 2 2 349.482 2.800 10 30 EFEELP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(C#N)c4ccsc43)C2)CC1 ZINC000601117006 468747614 /nfs/dbraw/zinc/74/76/14/468747614.db2.gz VHIDSVQTBAJNNH-AWEZNQCLSA-N 2 2 341.484 2.748 10 30 EFEELP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(C#N)c4ccsc43)C2)CC1 ZINC000601117006 468747618 /nfs/dbraw/zinc/74/76/18/468747618.db2.gz VHIDSVQTBAJNNH-AWEZNQCLSA-N 2 2 341.484 2.748 10 30 EFEELP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(C#N)c4ccsc43)C2)CC1 ZINC000601117007 468748445 /nfs/dbraw/zinc/74/84/45/468748445.db2.gz VHIDSVQTBAJNNH-CQSZACIVSA-N 2 2 341.484 2.748 10 30 EFEELP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(C#N)c4ccsc43)C2)CC1 ZINC000601117007 468748448 /nfs/dbraw/zinc/74/84/48/468748448.db2.gz VHIDSVQTBAJNNH-CQSZACIVSA-N 2 2 341.484 2.748 10 30 EFEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1)C(C)C ZINC000625558945 479970101 /nfs/dbraw/zinc/97/01/01/479970101.db2.gz ZRNGBKSFRBUQNE-ROUUACIJSA-N 2 2 344.503 2.569 10 30 EFEELP C=CC[N@@H+](C)Cc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000071904530 472610799 /nfs/dbraw/zinc/61/07/99/472610799.db2.gz ORKTVKOWVZCTJP-UHFFFAOYSA-N 2 2 338.455 2.695 10 30 EFEELP C=CC[N@H+](C)Cc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000071904530 472610804 /nfs/dbraw/zinc/61/08/04/472610804.db2.gz ORKTVKOWVZCTJP-UHFFFAOYSA-N 2 2 338.455 2.695 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000105896398 472801519 /nfs/dbraw/zinc/80/15/19/472801519.db2.gz RKIDNVCPTZINIF-CQSZACIVSA-N 2 2 343.456 2.654 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000105896398 472801525 /nfs/dbraw/zinc/80/15/25/472801525.db2.gz RKIDNVCPTZINIF-CQSZACIVSA-N 2 2 343.456 2.654 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000105896513 472802512 /nfs/dbraw/zinc/80/25/12/472802512.db2.gz FBTSVPVTUBJAGE-QGZVFWFLSA-N 2 2 337.427 2.593 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000105896513 472802517 /nfs/dbraw/zinc/80/25/17/472802517.db2.gz FBTSVPVTUBJAGE-QGZVFWFLSA-N 2 2 337.427 2.593 10 30 EFEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079209 472855041 /nfs/dbraw/zinc/85/50/41/472855041.db2.gz WVVBLLVCSZJLRX-DLBZAZTESA-N 2 2 343.471 2.663 10 30 EFEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079209 472855047 /nfs/dbraw/zinc/85/50/47/472855047.db2.gz WVVBLLVCSZJLRX-DLBZAZTESA-N 2 2 343.471 2.663 10 30 EFEELP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000106785399 472891242 /nfs/dbraw/zinc/89/12/42/472891242.db2.gz YCVMLBDAGKAGSZ-WBVHZDCISA-N 2 2 343.475 2.560 10 30 EFEELP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000106785399 472891253 /nfs/dbraw/zinc/89/12/53/472891253.db2.gz YCVMLBDAGKAGSZ-WBVHZDCISA-N 2 2 343.475 2.560 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)n2c1 ZINC000123437355 473141491 /nfs/dbraw/zinc/14/14/91/473141491.db2.gz KLSVLMQMZPLOEU-UHFFFAOYSA-N 2 2 328.379 2.681 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097068 473145931 /nfs/dbraw/zinc/14/59/31/473145931.db2.gz WXWULFAEQXNNAQ-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097068 473145937 /nfs/dbraw/zinc/14/59/37/473145937.db2.gz WXWULFAEQXNNAQ-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097068 473145942 /nfs/dbraw/zinc/14/59/42/473145942.db2.gz WXWULFAEQXNNAQ-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097068 473145950 /nfs/dbraw/zinc/14/59/50/473145950.db2.gz WXWULFAEQXNNAQ-RHSMWYFYSA-N 2 2 339.443 2.770 10 30 EFEELP C=CC[NH+](CC=C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052869067 473157849 /nfs/dbraw/zinc/15/78/49/473157849.db2.gz ANRFHGXRZQLGQQ-SFHVURJKSA-N 2 2 327.472 2.566 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000179344482 473677720 /nfs/dbraw/zinc/67/77/20/473677720.db2.gz YXKZUGVSRDUQCH-QGZVFWFLSA-N 2 2 330.472 2.937 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000179344482 473677722 /nfs/dbraw/zinc/67/77/22/473677722.db2.gz YXKZUGVSRDUQCH-QGZVFWFLSA-N 2 2 330.472 2.937 10 30 EFEELP C[NH+]1CCN(c2ccc(NCc3c(F)cc(C#N)cc3F)[nH+]c2)CC1 ZINC000192750234 473718297 /nfs/dbraw/zinc/71/82/97/473718297.db2.gz ABNQJFHUJGUPEV-UHFFFAOYSA-N 2 2 343.381 2.595 10 30 EFEELP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663591 473935178 /nfs/dbraw/zinc/93/51/78/473935178.db2.gz KPCRMHBZLYKBDM-DNVCBOLYSA-N 2 2 339.443 2.577 10 30 EFEELP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247236823 474097234 /nfs/dbraw/zinc/09/72/34/474097234.db2.gz YXFVGWVSSKQSMX-OALUTQOASA-N 2 2 348.535 2.583 10 30 EFEELP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247236823 474097241 /nfs/dbraw/zinc/09/72/41/474097241.db2.gz YXFVGWVSSKQSMX-OALUTQOASA-N 2 2 348.535 2.583 10 30 EFEELP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247329229 474120145 /nfs/dbraw/zinc/12/01/45/474120145.db2.gz GJBZAACOZKYOAS-MAUKXSAKSA-N 2 2 337.427 2.666 10 30 EFEELP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247329229 474120151 /nfs/dbraw/zinc/12/01/51/474120151.db2.gz GJBZAACOZKYOAS-MAUKXSAKSA-N 2 2 337.427 2.666 10 30 EFEELP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000271080312 474399625 /nfs/dbraw/zinc/39/96/25/474399625.db2.gz QXVBWDJMVZBRKH-KMFTYDHNSA-N 2 2 341.499 2.948 10 30 EFEELP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCC1 ZINC000189772763 474481160 /nfs/dbraw/zinc/48/11/60/474481160.db2.gz KCTYTNSLPSFYDP-JWTNVVGKSA-N 2 2 331.504 2.502 10 30 EFEELP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCC1 ZINC000189772763 474481164 /nfs/dbraw/zinc/48/11/64/474481164.db2.gz KCTYTNSLPSFYDP-JWTNVVGKSA-N 2 2 331.504 2.502 10 30 EFEELP C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328627090 475041146 /nfs/dbraw/zinc/04/11/46/475041146.db2.gz FVBJQPMAHAHLTO-ZFWWWQNUSA-N 2 2 344.381 2.525 10 30 EFEELP C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328627090 475041154 /nfs/dbraw/zinc/04/11/54/475041154.db2.gz FVBJQPMAHAHLTO-ZFWWWQNUSA-N 2 2 344.381 2.525 10 30 EFEELP C[NH+](CC(=O)NCC(F)(F)F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328627090 475041164 /nfs/dbraw/zinc/04/11/64/475041164.db2.gz FVBJQPMAHAHLTO-ZFWWWQNUSA-N 2 2 344.381 2.525 10 30 EFEELP C[NH+](CC(=O)NCC(F)(F)F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328627090 475041171 /nfs/dbraw/zinc/04/11/71/475041171.db2.gz FVBJQPMAHAHLTO-ZFWWWQNUSA-N 2 2 344.381 2.525 10 30 EFEELP Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C#N)c(C)[nH+]1 ZINC000328637296 475048974 /nfs/dbraw/zinc/04/89/74/475048974.db2.gz ONYXZHJZWDHNPH-GOSISDBHSA-N 2 2 335.455 2.923 10 30 EFEELP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C#N)c(C)[nH+]1 ZINC000328637296 475048984 /nfs/dbraw/zinc/04/89/84/475048984.db2.gz ONYXZHJZWDHNPH-GOSISDBHSA-N 2 2 335.455 2.923 10 30 EFEELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(F)F ZINC000295136114 475105750 /nfs/dbraw/zinc/10/57/50/475105750.db2.gz YUDRWQNJXCNQHW-IRXDYDNUSA-N 2 2 337.414 2.517 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329857650 475147898 /nfs/dbraw/zinc/14/78/98/475147898.db2.gz VOJIVWDIXQUDDK-KRWDZBQOSA-N 2 2 345.491 2.584 10 30 EFEELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000331327926 475339845 /nfs/dbraw/zinc/33/98/45/475339845.db2.gz PUOVSHXHFOUVST-OAHLLOKOSA-N 2 2 335.496 2.663 10 30 EFEELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000331327926 475339850 /nfs/dbraw/zinc/33/98/50/475339850.db2.gz PUOVSHXHFOUVST-OAHLLOKOSA-N 2 2 335.496 2.663 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358582489 475785976 /nfs/dbraw/zinc/78/59/76/475785976.db2.gz ZZLRQWIMYSXSMB-BKTGTZMESA-N 2 2 331.435 2.726 10 30 EFEELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C#N)cc1F ZINC000423229171 476968648 /nfs/dbraw/zinc/96/86/48/476968648.db2.gz GQBRFLPEHNTBHY-CYBMUJFWSA-N 2 2 325.391 2.675 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380116 477734757 /nfs/dbraw/zinc/73/47/57/477734757.db2.gz REMXJYIUGWIXHY-VQIMIIECSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380116 477734763 /nfs/dbraw/zinc/73/47/63/477734763.db2.gz REMXJYIUGWIXHY-VQIMIIECSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420409501 477754157 /nfs/dbraw/zinc/75/41/57/477754157.db2.gz XBTDSFDPEBLQFC-MJGOQNOKSA-N 2 2 329.488 2.938 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420409501 477754163 /nfs/dbraw/zinc/75/41/63/477754163.db2.gz XBTDSFDPEBLQFC-MJGOQNOKSA-N 2 2 329.488 2.938 10 30 EFEELP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000532650665 477966361 /nfs/dbraw/zinc/96/63/61/477966361.db2.gz PIBJGLILEJMXSJ-UHFFFAOYSA-N 2 2 329.429 2.551 10 30 EFEELP COc1ccc(C[NH+](C)C)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000536094885 478241453 /nfs/dbraw/zinc/24/14/53/478241453.db2.gz HXHNNRRXAKMUQG-UHFFFAOYSA-N 2 2 335.411 2.888 10 30 EFEELP Cc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])CCCCC#N)ccc2n1C1CC1 ZINC000594469703 478400698 /nfs/dbraw/zinc/40/06/98/478400698.db2.gz ZQWDQFSYULSXGP-MRXNPFEDSA-N 2 2 339.443 2.707 10 30 EFEELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC2(C#N)CC2)c(C)c1 ZINC000600728396 478490318 /nfs/dbraw/zinc/49/03/18/478490318.db2.gz PFFXNVWBZWKIHR-IEBWSBKVSA-N 2 2 338.455 2.886 10 30 EFEELP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000594914442 478582082 /nfs/dbraw/zinc/58/20/82/478582082.db2.gz IJOCTUQSJWXXJC-IAGOWNOFSA-N 2 2 327.472 2.831 10 30 EFEELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000594914441 478582924 /nfs/dbraw/zinc/58/29/24/478582924.db2.gz IJOCTUQSJWXXJC-CALCHBBNSA-N 2 2 327.472 2.831 10 30 EFEELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000594914441 478582931 /nfs/dbraw/zinc/58/29/31/478582931.db2.gz IJOCTUQSJWXXJC-CALCHBBNSA-N 2 2 327.472 2.831 10 30 EFEELP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000594959199 478606374 /nfs/dbraw/zinc/60/63/74/478606374.db2.gz AUJVXPZIWUHTGT-SFHVURJKSA-N 2 2 337.471 2.921 10 30 EFEELP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000594959199 478606385 /nfs/dbraw/zinc/60/63/85/478606385.db2.gz AUJVXPZIWUHTGT-SFHVURJKSA-N 2 2 337.471 2.921 10 30 EFEELP CC1(C)OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594996927 478622733 /nfs/dbraw/zinc/62/27/33/478622733.db2.gz VSINPGBDUPEBHW-GOSISDBHSA-N 2 2 327.472 2.927 10 30 EFEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595393070 478760907 /nfs/dbraw/zinc/76/09/07/478760907.db2.gz VAFSZXPAVBCFJX-SFHVURJKSA-N 2 2 334.895 2.862 10 30 EFEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595393070 478760914 /nfs/dbraw/zinc/76/09/14/478760914.db2.gz VAFSZXPAVBCFJX-SFHVURJKSA-N 2 2 334.895 2.862 10 30 EFEELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595636546 478906109 /nfs/dbraw/zinc/90/61/09/478906109.db2.gz PZDUXCTUOPAMEL-HXUWFJFHSA-N 2 2 337.467 2.876 10 30 EFEELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595636546 478906118 /nfs/dbraw/zinc/90/61/18/478906118.db2.gz PZDUXCTUOPAMEL-HXUWFJFHSA-N 2 2 337.467 2.876 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972368 479109156 /nfs/dbraw/zinc/10/91/56/479109156.db2.gz QDRFWGYENIBESZ-FUHWJXTLSA-N 2 2 340.471 2.516 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972368 479109161 /nfs/dbraw/zinc/10/91/61/479109161.db2.gz QDRFWGYENIBESZ-FUHWJXTLSA-N 2 2 340.471 2.516 10 30 EFEELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599371678 479273559 /nfs/dbraw/zinc/27/35/59/479273559.db2.gz FAJWYVJGZXKESC-OALUTQOASA-N 2 2 329.488 2.787 10 30 EFEELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599371678 479273563 /nfs/dbraw/zinc/27/35/63/479273563.db2.gz FAJWYVJGZXKESC-OALUTQOASA-N 2 2 329.488 2.787 10 30 EFEELP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276794 /nfs/dbraw/zinc/27/67/94/479276794.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 2 349.478 2.936 10 30 EFEELP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276799 /nfs/dbraw/zinc/27/67/99/479276799.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 2 349.478 2.936 10 30 EFEELP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276803 /nfs/dbraw/zinc/27/68/03/479276803.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 2 349.478 2.936 10 30 EFEELP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276808 /nfs/dbraw/zinc/27/68/08/479276808.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 2 349.478 2.936 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576704340 479582560 /nfs/dbraw/zinc/58/25/60/479582560.db2.gz LQONJOZPNFBUSZ-APWZRJJASA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576704340 479582565 /nfs/dbraw/zinc/58/25/65/479582565.db2.gz LQONJOZPNFBUSZ-APWZRJJASA-N 2 2 347.528 2.727 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)c1 ZINC000597156065 479597210 /nfs/dbraw/zinc/59/72/10/479597210.db2.gz FEDVAXSBWCQOIT-UXHICEINSA-N 2 2 325.456 2.680 10 30 EFEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987396 481673084 /nfs/dbraw/zinc/67/30/84/481673084.db2.gz CXWUITDPZCRRTM-GOSISDBHSA-N 2 2 333.520 2.916 10 30 EFEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000651332696 481710430 /nfs/dbraw/zinc/71/04/30/481710430.db2.gz GMJSLIIHZNSZAA-SFHVURJKSA-N 2 2 344.503 2.577 10 30 EFEELP C=CC[C@@]1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662721542 481948351 /nfs/dbraw/zinc/94/83/51/481948351.db2.gz YISPQVGTRXHTND-JXFKEZNVSA-N 2 2 343.471 2.717 10 30 EFEELP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CCC[NH2+]1 ZINC000662791940 481971161 /nfs/dbraw/zinc/97/11/61/481971161.db2.gz UATWXXCGHVOJDN-JXFKEZNVSA-N 2 2 345.462 2.729 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000668784498 482261715 /nfs/dbraw/zinc/26/17/15/482261715.db2.gz GQEIKRLVVDXXQF-SFHVURJKSA-N 2 2 348.487 2.803 10 30 EFEELP C=CCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000668784498 482261718 /nfs/dbraw/zinc/26/17/18/482261718.db2.gz GQEIKRLVVDXXQF-SFHVURJKSA-N 2 2 348.487 2.803 10 30 EFEELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528165 533894121 /nfs/dbraw/zinc/89/41/21/533894121.db2.gz NZVBEQZBGRPGKD-HUUCEWRRSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528165 533894124 /nfs/dbraw/zinc/89/41/24/533894124.db2.gz NZVBEQZBGRPGKD-HUUCEWRRSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1C ZINC000173528165 533894107 /nfs/dbraw/zinc/89/41/07/533894107.db2.gz NZVBEQZBGRPGKD-HUUCEWRRSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1C ZINC000173528165 533894115 /nfs/dbraw/zinc/89/41/15/533894115.db2.gz NZVBEQZBGRPGKD-HUUCEWRRSA-N 2 2 346.500 2.655 10 30 EFEELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1 ZINC000195516130 524685116 /nfs/dbraw/zinc/68/51/16/524685116.db2.gz LROITQKQXZALMW-QGZVFWFLSA-N 2 2 349.438 2.634 10 30 EFEELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1 ZINC000195516130 524685125 /nfs/dbraw/zinc/68/51/25/524685125.db2.gz LROITQKQXZALMW-QGZVFWFLSA-N 2 2 349.438 2.634 10 30 EFEELP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000151318351 524811420 /nfs/dbraw/zinc/81/14/20/524811420.db2.gz QUDMCNVNKGRJPS-QFBILLFUSA-N 2 2 345.450 2.959 10 30 EFEELP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000151318351 524811426 /nfs/dbraw/zinc/81/14/26/524811426.db2.gz QUDMCNVNKGRJPS-QFBILLFUSA-N 2 2 345.450 2.959 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000153319908 526586269 /nfs/dbraw/zinc/58/62/69/526586269.db2.gz HMPHYXROQXJSTG-SJLPKXTDSA-N 2 2 345.491 2.516 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000181758935 526609919 /nfs/dbraw/zinc/60/99/19/526609919.db2.gz WYCRUPFVLMYZPA-FCHUYYIVSA-N 2 2 347.462 2.771 10 30 EFEELP C=CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000176109431 526965117 /nfs/dbraw/zinc/96/51/17/526965117.db2.gz AUPZIPZVPCJLNU-UHFFFAOYSA-N 2 2 348.535 2.544 10 30 EFEELP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261659958 535262008 /nfs/dbraw/zinc/26/20/08/535262008.db2.gz FVOUMQTYHIDWCZ-CALCHBBNSA-N 2 2 339.487 2.964 10 30 EFEELP CN(CCC#N)c1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000237207500 536301298 /nfs/dbraw/zinc/30/12/98/536301298.db2.gz AIDLDKBDGIFFHF-UHFFFAOYSA-N 2 2 346.438 2.907 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658061030 547345329 /nfs/dbraw/zinc/34/53/29/547345329.db2.gz RVPRTRQPUBVDEZ-UYAOXDASSA-N 2 2 335.536 2.508 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658061030 547345331 /nfs/dbraw/zinc/34/53/31/547345331.db2.gz RVPRTRQPUBVDEZ-UYAOXDASSA-N 2 2 335.536 2.508 10 30 EFEELP CC[N@H+](CC#CCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000677818597 548772685 /nfs/dbraw/zinc/77/26/85/548772685.db2.gz CSQXEOGVARDMNC-UHFFFAOYSA-N 2 2 344.503 2.849 10 30 EFEELP CC[N@@H+](CC#CCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000677818597 548772688 /nfs/dbraw/zinc/77/26/88/548772688.db2.gz CSQXEOGVARDMNC-UHFFFAOYSA-N 2 2 344.503 2.849 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940256 575363414 /nfs/dbraw/zinc/36/34/14/575363414.db2.gz SVBCWBVLQRPHQL-MNEFBYGVSA-N 2 2 339.487 2.744 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940256 575363416 /nfs/dbraw/zinc/36/34/16/575363416.db2.gz SVBCWBVLQRPHQL-MNEFBYGVSA-N 2 2 339.487 2.744 10 30 EFEELP Cc1c(Cl)cccc1N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755643079 575612658 /nfs/dbraw/zinc/61/26/58/575612658.db2.gz LSBMEDDOECDKAO-UHFFFAOYSA-N 2 2 344.850 2.636 10 30 EFEELP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761010907 576100974 /nfs/dbraw/zinc/10/09/74/576100974.db2.gz NMYPTVUWEMSIPO-ROUUACIJSA-N 2 2 342.483 2.710 10 30 EFEELP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761010907 576100977 /nfs/dbraw/zinc/10/09/77/576100977.db2.gz NMYPTVUWEMSIPO-ROUUACIJSA-N 2 2 342.483 2.710 10 30 EFEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691787808 1249089673 /nfs/dbraw/zinc/08/96/73/1249089673.db2.gz UDLDFEJJGJYSHV-INIZCTEOSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691787808 1249089681 /nfs/dbraw/zinc/08/96/81/1249089681.db2.gz UDLDFEJJGJYSHV-INIZCTEOSA-N 2 2 326.444 2.837 10 30 EFEELP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001772542013 1248276517 /nfs/dbraw/zinc/27/65/17/1248276517.db2.gz OWSCRAUZRXIPPB-UHFFFAOYSA-N 2 2 332.492 2.508 10 30 EFEELP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001772542013 1248276528 /nfs/dbraw/zinc/27/65/28/1248276528.db2.gz OWSCRAUZRXIPPB-UHFFFAOYSA-N 2 2 332.492 2.508 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691086499 1248383406 /nfs/dbraw/zinc/38/34/06/1248383406.db2.gz RQKFUSRTLQBLPP-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691086499 1248383417 /nfs/dbraw/zinc/38/34/17/1248383417.db2.gz RQKFUSRTLQBLPP-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001484337292 1252422287 /nfs/dbraw/zinc/42/22/87/1252422287.db2.gz VNFPGAOJEAHZOJ-DOTOQJQBSA-N 2 2 326.444 2.659 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484340851 1252427366 /nfs/dbraw/zinc/42/73/66/1252427366.db2.gz ARSMYOZFNKEVQA-LSDHHAIUSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001484350308 1252439510 /nfs/dbraw/zinc/43/95/10/1252439510.db2.gz HNWWDTALJVGIIM-DLBZAZTESA-N 2 2 340.471 2.588 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484372522 1252468094 /nfs/dbraw/zinc/46/80/94/1252468094.db2.gz SUJMMCFTSPPFBT-HOTGVXAUSA-N 2 2 326.444 2.598 10 30 EFEELP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001484367414 1252469992 /nfs/dbraw/zinc/46/99/92/1252469992.db2.gz DFJVDXFBNPJMQJ-YOEHRIQHSA-N 2 2 326.444 2.517 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001484367413 1252470697 /nfs/dbraw/zinc/47/06/97/1252470697.db2.gz DFJVDXFBNPJMQJ-WMLDXEAASA-N 2 2 326.444 2.517 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484466292 1252673847 /nfs/dbraw/zinc/67/38/47/1252673847.db2.gz XEPYRQCALCRBQO-KBAYOESNSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484466292 1252673853 /nfs/dbraw/zinc/67/38/53/1252673853.db2.gz XEPYRQCALCRBQO-KBAYOESNSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484466292 1252673859 /nfs/dbraw/zinc/67/38/59/1252673859.db2.gz XEPYRQCALCRBQO-KBAYOESNSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484466292 1252673871 /nfs/dbraw/zinc/67/38/71/1252673871.db2.gz XEPYRQCALCRBQO-KBAYOESNSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001272763354 1257642816 /nfs/dbraw/zinc/64/28/16/1257642816.db2.gz QSMLNBCHKZSOIM-BRSBDYLESA-N 2 2 344.503 2.754 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001272778938 1257972500 /nfs/dbraw/zinc/97/25/00/1257972500.db2.gz WYDGMMCOTZKQKK-QAQDUYKDSA-N 2 2 332.492 2.584 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670939486 1258791988 /nfs/dbraw/zinc/79/19/88/1258791988.db2.gz GRDLDMHSTJFFGM-UNPWZGGWSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670939486 1258791995 /nfs/dbraw/zinc/79/19/95/1258791995.db2.gz GRDLDMHSTJFFGM-UNPWZGGWSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001670985530 1259318193 /nfs/dbraw/zinc/31/81/93/1259318193.db2.gz UFJFRPVINQBXOF-UHFFFAOYSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001670985530 1259318202 /nfs/dbraw/zinc/31/82/02/1259318202.db2.gz UFJFRPVINQBXOF-UHFFFAOYSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039510 1259850134 /nfs/dbraw/zinc/85/01/34/1259850134.db2.gz OXLKLDHRMLNOAH-XLIONFOSSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039510 1259850143 /nfs/dbraw/zinc/85/01/43/1259850143.db2.gz OXLKLDHRMLNOAH-XLIONFOSSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039510 1259850151 /nfs/dbraw/zinc/85/01/51/1259850151.db2.gz OXLKLDHRMLNOAH-XLIONFOSSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039510 1259850157 /nfs/dbraw/zinc/85/01/57/1259850157.db2.gz OXLKLDHRMLNOAH-XLIONFOSSA-N 2 2 344.503 2.869 10 30 EFEELP C[NH2+]CCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923532015 1261859475 /nfs/dbraw/zinc/85/94/75/1261859475.db2.gz XHXADFHEOLGTQC-OCAPTIKFSA-N 2 2 340.258 2.699 10 30 EFEELP C[NH2+]CCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923532015 1261859479 /nfs/dbraw/zinc/85/94/79/1261859479.db2.gz XHXADFHEOLGTQC-OCAPTIKFSA-N 2 2 340.258 2.699 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001486146696 1262693319 /nfs/dbraw/zinc/69/33/19/1262693319.db2.gz JTDMHYPOIGCRJC-LFEHRJTNSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001486146696 1262693325 /nfs/dbraw/zinc/69/33/25/1262693325.db2.gz JTDMHYPOIGCRJC-LFEHRJTNSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001486146696 1262693331 /nfs/dbraw/zinc/69/33/31/1262693331.db2.gz JTDMHYPOIGCRJC-LFEHRJTNSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001486146696 1262693336 /nfs/dbraw/zinc/69/33/36/1262693336.db2.gz JTDMHYPOIGCRJC-LFEHRJTNSA-N 2 2 328.460 2.593 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001486166372 1262728060 /nfs/dbraw/zinc/72/80/60/1262728060.db2.gz JUTJRAVJJFGPET-GUDVDZBRSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001486166371 1262728321 /nfs/dbraw/zinc/72/83/21/1262728321.db2.gz JUTJRAVJJFGPET-GBESFXJTSA-N 2 2 344.503 2.846 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001486206205 1262758442 /nfs/dbraw/zinc/75/84/42/1262758442.db2.gz FTYAXJNRROUBHI-FUHWJXTLSA-N 2 2 338.455 2.937 10 30 EFEELP C=C(C)C[N@@H+](C)CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001486370561 1262967934 /nfs/dbraw/zinc/96/79/34/1262967934.db2.gz YGQFTOGEKABGOR-UHFFFAOYSA-N 2 2 332.492 2.507 10 30 EFEELP C=C(C)C[N@H+](C)CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001486370561 1262967942 /nfs/dbraw/zinc/96/79/42/1262967942.db2.gz YGQFTOGEKABGOR-UHFFFAOYSA-N 2 2 332.492 2.507 10 30 EFEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001486522031 1263321276 /nfs/dbraw/zinc/32/12/76/1263321276.db2.gz VCTIRFHXEYLLFG-SFHVURJKSA-N 2 2 347.890 2.790 10 30 EFEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001486522031 1263321289 /nfs/dbraw/zinc/32/12/89/1263321289.db2.gz VCTIRFHXEYLLFG-SFHVURJKSA-N 2 2 347.890 2.790 10 30 EFEELP C#CC[C@@H](COC)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001179290910 1289092925 /nfs/dbraw/zinc/09/29/25/1289092925.db2.gz FGGWMPFBJXKQAC-INIZCTEOSA-N 2 2 347.846 2.743 10 30 EFEELP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001276312897 1292723683 /nfs/dbraw/zinc/72/36/83/1292723683.db2.gz VYNCBSGOAVCWDB-MOPGFXCFSA-N 2 2 344.503 2.854 10 30 EFEELP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001276312897 1292723688 /nfs/dbraw/zinc/72/36/88/1292723688.db2.gz VYNCBSGOAVCWDB-MOPGFXCFSA-N 2 2 344.503 2.854 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001277969413 1313388234 /nfs/dbraw/zinc/38/82/34/1313388234.db2.gz SKLCAMPIHGYGRC-DLBZAZTESA-N 2 2 342.487 2.976 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001489085370 1298016476 /nfs/dbraw/zinc/01/64/76/1298016476.db2.gz KKFBFWWBKGYNCJ-BPQIPLTHSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001489085370 1298016483 /nfs/dbraw/zinc/01/64/83/1298016483.db2.gz KKFBFWWBKGYNCJ-BPQIPLTHSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001489230808 1298143866 /nfs/dbraw/zinc/14/38/66/1298143866.db2.gz FXZVDPNSNGHBGL-QGZVFWFLSA-N 2 2 331.460 2.570 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001489323897 1298178581 /nfs/dbraw/zinc/17/85/81/1298178581.db2.gz WGJZWFIUKGAUKZ-SFHVURJKSA-N 2 2 345.487 2.912 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001489323897 1298178587 /nfs/dbraw/zinc/17/85/87/1298178587.db2.gz WGJZWFIUKGAUKZ-SFHVURJKSA-N 2 2 345.487 2.912 10 30 EFEELP C=CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903980482 1313530774 /nfs/dbraw/zinc/53/07/74/1313530774.db2.gz STUMAVLKQOEZBO-BGYRXZFFSA-N 2 2 341.499 2.652 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001490664968 1299109090 /nfs/dbraw/zinc/10/90/90/1299109090.db2.gz NOFQHQCXVBGTCE-KRWDZBQOSA-N 2 2 326.444 2.707 10 30 EFEELP C=CCCC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001278064232 1313601221 /nfs/dbraw/zinc/60/12/21/1313601221.db2.gz LDWXFMRZVXPPTJ-UHFFFAOYSA-N 2 2 326.444 2.885 10 30 EFEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001278188237 1313760950 /nfs/dbraw/zinc/76/09/50/1313760950.db2.gz JBOFNPOOSGMPNH-ROUUACIJSA-N 2 2 344.503 2.807 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001278250876 1313840441 /nfs/dbraw/zinc/84/04/41/1313840441.db2.gz LKEARISVIJIXOO-QZTJIDSGSA-N 2 2 344.503 2.676 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C#N)c1O ZINC000866307362 1303596710 /nfs/dbraw/zinc/59/67/10/1303596710.db2.gz YXEZLJISJQQXNP-KYNGSXCRSA-N 2 2 343.471 2.682 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001278334063 1314138534 /nfs/dbraw/zinc/13/85/34/1314138534.db2.gz ADKYHGFSOLJQOP-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001278334063 1314138537 /nfs/dbraw/zinc/13/85/37/1314138537.db2.gz ADKYHGFSOLJQOP-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001276831148 1311154206 /nfs/dbraw/zinc/15/42/06/1311154206.db2.gz SSPBQVXQQJGWTL-RCCFBDPRSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001276831148 1311154208 /nfs/dbraw/zinc/15/42/08/1311154208.db2.gz SSPBQVXQQJGWTL-RCCFBDPRSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCn1cc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)nn1 ZINC000902392146 1311705258 /nfs/dbraw/zinc/70/52/58/1311705258.db2.gz FJVTYJXAOWBOQY-KRWDZBQOSA-N 2 2 335.402 2.702 10 30 EFEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001284630818 1320448629 /nfs/dbraw/zinc/44/86/29/1320448629.db2.gz JTWMUHRDUOAGIU-QGZVFWFLSA-N 2 2 342.487 2.882 10 30 EFEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001284630814 1320448730 /nfs/dbraw/zinc/44/87/30/1320448730.db2.gz JTWMUHRDUOAGIU-KRWDZBQOSA-N 2 2 342.487 2.882 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001277286234 1311924426 /nfs/dbraw/zinc/92/44/26/1311924426.db2.gz WJFIZHCNCILRSH-PKOBYXMFSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001277286234 1311924429 /nfs/dbraw/zinc/92/44/29/1311924429.db2.gz WJFIZHCNCILRSH-PKOBYXMFSA-N 2 2 344.503 2.930 10 30 EFEELP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902790395 1312110213 /nfs/dbraw/zinc/11/02/13/1312110213.db2.gz QFOFBRDKFJLDIJ-UTKZUKDTSA-N 2 2 349.482 2.593 10 30 EFEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806036 1312122220 /nfs/dbraw/zinc/12/22/20/1312122220.db2.gz HZXOSTKFGZTQAL-RYRKJORJSA-N 2 2 330.476 2.741 10 30 EFEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806036 1312122221 /nfs/dbraw/zinc/12/22/21/1312122221.db2.gz HZXOSTKFGZTQAL-RYRKJORJSA-N 2 2 330.476 2.741 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001277516262 1312506022 /nfs/dbraw/zinc/50/60/22/1312506022.db2.gz IDQUQLJJSQIAJS-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001277516262 1312506024 /nfs/dbraw/zinc/50/60/24/1312506024.db2.gz IDQUQLJJSQIAJS-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001277516262 1312506026 /nfs/dbraw/zinc/50/60/26/1312506026.db2.gz IDQUQLJJSQIAJS-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001277516262 1312506028 /nfs/dbraw/zinc/50/60/28/1312506028.db2.gz IDQUQLJJSQIAJS-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001278405009 1314477842 /nfs/dbraw/zinc/47/78/42/1314477842.db2.gz KGCBHOMTUOUBQJ-PXNSSMCTSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001278405009 1314477844 /nfs/dbraw/zinc/47/78/44/1314477844.db2.gz KGCBHOMTUOUBQJ-PXNSSMCTSA-N 2 2 346.519 2.997 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001276740238 1314951414 /nfs/dbraw/zinc/95/14/14/1314951414.db2.gz OFUPCRVSCVPNGN-FUHWJXTLSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001278668151 1315453915 /nfs/dbraw/zinc/45/39/15/1315453915.db2.gz LMGFRPATUUWIDL-LJQANCHMSA-N 2 2 326.444 2.742 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001278668151 1315453917 /nfs/dbraw/zinc/45/39/17/1315453917.db2.gz LMGFRPATUUWIDL-LJQANCHMSA-N 2 2 326.444 2.742 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001278978775 1316013764 /nfs/dbraw/zinc/01/37/64/1316013764.db2.gz MQJUUWJNXIZOMT-CVEARBPZSA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001318559776 1328639895 /nfs/dbraw/zinc/63/98/95/1328639895.db2.gz YGPDSQDSZHCEFU-KRWDZBQOSA-N 2 2 326.444 2.937 10 30 EFEELP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264446516 1316616994 /nfs/dbraw/zinc/61/69/94/1316616994.db2.gz BETDHEXROOOAJN-NZSAHSFTSA-N 2 2 338.455 2.604 10 30 EFEELP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264446516 1316616996 /nfs/dbraw/zinc/61/69/96/1316616996.db2.gz BETDHEXROOOAJN-NZSAHSFTSA-N 2 2 338.455 2.604 10 30 EFEELP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001264586057 1316635689 /nfs/dbraw/zinc/63/56/89/1316635689.db2.gz KWRLDPLVBGLKJK-BHIYHBOVSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001264586057 1316635690 /nfs/dbraw/zinc/63/56/90/1316635690.db2.gz KWRLDPLVBGLKJK-BHIYHBOVSA-N 2 2 344.503 2.534 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001264586998 1316636729 /nfs/dbraw/zinc/63/67/29/1316636729.db2.gz WSVCVYBRLJCQCU-KBAYOESNSA-N 2 2 330.476 2.524 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001264586998 1316636731 /nfs/dbraw/zinc/63/67/31/1316636731.db2.gz WSVCVYBRLJCQCU-KBAYOESNSA-N 2 2 330.476 2.524 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C(C)(C)[C@@H]21 ZINC001264586998 1316636733 /nfs/dbraw/zinc/63/67/33/1316636733.db2.gz WSVCVYBRLJCQCU-KBAYOESNSA-N 2 2 330.476 2.524 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C(C)(C)[C@@H]21 ZINC001264586998 1316636735 /nfs/dbraw/zinc/63/67/35/1316636735.db2.gz WSVCVYBRLJCQCU-KBAYOESNSA-N 2 2 330.476 2.524 10 30 EFEELP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001265340305 1316786055 /nfs/dbraw/zinc/78/60/55/1316786055.db2.gz MWLNANJDOYHRIK-QGZVFWFLSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397338 1316798867 /nfs/dbraw/zinc/79/88/67/1316798867.db2.gz WZDJDYKDIRRXPT-IRXDYDNUSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397338 1316798868 /nfs/dbraw/zinc/79/88/68/1316798868.db2.gz WZDJDYKDIRRXPT-IRXDYDNUSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397338 1316798870 /nfs/dbraw/zinc/79/88/70/1316798870.db2.gz WZDJDYKDIRRXPT-IRXDYDNUSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397338 1316798872 /nfs/dbraw/zinc/79/88/72/1316798872.db2.gz WZDJDYKDIRRXPT-IRXDYDNUSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266240307 1317189133 /nfs/dbraw/zinc/18/91/33/1317189133.db2.gz SIMRQMKLBVMEHC-RCCFBDPRSA-N 2 2 344.503 2.851 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266240307 1317189135 /nfs/dbraw/zinc/18/91/35/1317189135.db2.gz SIMRQMKLBVMEHC-RCCFBDPRSA-N 2 2 344.503 2.851 10 30 EFEELP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001279123598 1317194870 /nfs/dbraw/zinc/19/48/70/1317194870.db2.gz CUKRAQGALLSGMW-MAUKXSAKSA-N 2 2 345.487 2.507 10 30 EFEELP C=CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001318743279 1328683327 /nfs/dbraw/zinc/68/33/27/1328683327.db2.gz HAKFMQVBJYQTSI-JXFKEZNVSA-N 2 2 345.487 2.864 10 30 EFEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001280350499 1317514986 /nfs/dbraw/zinc/51/49/86/1317514986.db2.gz KVKRQRXBNCRGPB-CQSZACIVSA-N 2 2 332.407 2.777 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001280351323 1317515564 /nfs/dbraw/zinc/51/55/64/1317515564.db2.gz WCQYKMZKYRLXQF-MAUKXSAKSA-N 2 2 338.455 2.599 10 30 EFEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001280351568 1317517029 /nfs/dbraw/zinc/51/70/29/1317517029.db2.gz ZJSLGYIHSAQOFF-INIZCTEOSA-N 2 2 346.434 2.938 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001280367505 1317527000 /nfs/dbraw/zinc/52/70/00/1317527000.db2.gz IFMUHFWTCDOOQK-KZNAEPCWSA-N 2 2 344.503 2.676 10 30 EFEELP C#CCC[NH+]1CCC(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001319029798 1328766945 /nfs/dbraw/zinc/76/69/45/1328766945.db2.gz MFRPDVLRDTWHLN-UHFFFAOYSA-N 2 2 327.472 2.862 10 30 EFEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001281833188 1318596586 /nfs/dbraw/zinc/59/65/86/1318596586.db2.gz CNJXLPFEKIPYTC-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001281833188 1318596594 /nfs/dbraw/zinc/59/65/94/1318596594.db2.gz CNJXLPFEKIPYTC-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001319085331 1328776836 /nfs/dbraw/zinc/77/68/36/1328776836.db2.gz PXXYBOPQVFMXOT-DOTOQJQBSA-N 2 2 331.460 2.568 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001282175218 1318767076 /nfs/dbraw/zinc/76/70/76/1318767076.db2.gz MZPSUSMTFJZXCE-CVEARBPZSA-N 2 2 326.444 2.935 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001282175227 1318768126 /nfs/dbraw/zinc/76/81/26/1318768126.db2.gz 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C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001328467683 1330594327 /nfs/dbraw/zinc/59/43/27/1330594327.db2.gz GSPDBKVYBCFZOU-IBGZPJMESA-N 2 2 338.455 2.565 10 30 EFEELP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001328467683 1330594329 /nfs/dbraw/zinc/59/43/29/1330594329.db2.gz GSPDBKVYBCFZOU-IBGZPJMESA-N 2 2 338.455 2.565 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001329256837 1330687247 /nfs/dbraw/zinc/68/72/47/1330687247.db2.gz QOHRHIUCUAYFRP-ODIFPOPNSA-N 2 2 332.492 2.975 10 30 EFEELP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001329307928 1330692602 /nfs/dbraw/zinc/69/26/02/1330692602.db2.gz PCVMWAJFWFKMCV-IRXDYDNUSA-N 2 2 346.519 2.874 10 30 EFEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001329595151 1330722010 /nfs/dbraw/zinc/72/20/10/1330722010.db2.gz GPWFAIKNJFUVHG-IBGZPJMESA-N 2 2 340.471 2.883 10 30 EFEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001329595151 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SFKUMTVGXKXAKD-JKSUJKDBSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331060221 1330789472 /nfs/dbraw/zinc/78/94/72/1330789472.db2.gz SFKUMTVGXKXAKD-JKSUJKDBSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331060221 1330789476 /nfs/dbraw/zinc/78/94/76/1330789476.db2.gz SFKUMTVGXKXAKD-JKSUJKDBSA-N 2 2 332.492 2.866 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001332295690 1330954210 /nfs/dbraw/zinc/95/42/10/1330954210.db2.gz ZVOHLKHUXWVJPL-WMZOPIPTSA-N 2 2 338.455 2.937 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332710092 1331007187 /nfs/dbraw/zinc/00/71/87/1331007187.db2.gz BRGDHUNFFLMWLH-ROUUACIJSA-N 2 2 346.519 2.969 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332710092 1331007193 /nfs/dbraw/zinc/00/71/93/1331007193.db2.gz BRGDHUNFFLMWLH-ROUUACIJSA-N 2 2 346.519 2.969 10 30 EFEELP C#CC[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001349700853 1332986627 /nfs/dbraw/zinc/98/66/27/1332986627.db2.gz SXXPUSKKUXIHSW-PMACEKPBSA-N 2 2 334.504 2.524 10 30 EFEELP C#CC[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001349700853 1332986632 /nfs/dbraw/zinc/98/66/32/1332986632.db2.gz SXXPUSKKUXIHSW-PMACEKPBSA-N 2 2 334.504 2.524 10 30 EFEELP C[C@@H]1C(=NNCCCn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000848416137 1334712713 /nfs/dbraw/zinc/71/27/13/1334712713.db2.gz ANAYZXFLRJGMOI-QGZVFWFLSA-N 2 2 325.460 2.903 10 30 EFEELP C[C@@H]1C(=NNCCCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000848416137 1334712715 /nfs/dbraw/zinc/71/27/15/1334712715.db2.gz ANAYZXFLRJGMOI-QGZVFWFLSA-N 2 2 325.460 2.903 10 30 EFEELP COc1cccc(/C=[NH+]\CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000849170729 1335563248 /nfs/dbraw/zinc/56/32/48/1335563248.db2.gz TZLDPAIZZCAOSP-ZHZULCJRSA-N 2 2 332.444 2.711 10 30 EFEELP COc1cc(C#N)ccc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001363320762 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DGKOIUBZFANQKQ-QZTJIDSGSA-N 2 2 349.906 2.665 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001378649577 1345225845 /nfs/dbraw/zinc/22/58/45/1345225845.db2.gz FJRKNKMQOUFUGW-OAHLLOKOSA-N 2 2 338.883 2.551 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001378649577 1345225847 /nfs/dbraw/zinc/22/58/47/1345225847.db2.gz FJRKNKMQOUFUGW-OAHLLOKOSA-N 2 2 338.883 2.551 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001382100316 1348720745 /nfs/dbraw/zinc/72/07/45/1348720745.db2.gz OAWUAFCGVIKNSW-GJZGRUSLSA-N 2 2 326.872 2.659 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001393478378 1356877910 /nfs/dbraw/zinc/87/79/10/1356877910.db2.gz KXFWHTWMEGMEQT-UHFFFAOYSA-N 2 2 335.879 2.583 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001393478378 1356877914 /nfs/dbraw/zinc/87/79/14/1356877914.db2.gz KXFWHTWMEGMEQT-UHFFFAOYSA-N 2 2 335.879 2.583 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001398468386 1360584381 /nfs/dbraw/zinc/58/43/81/1360584381.db2.gz FPJCDXHALSQJKV-JKSUJKDBSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001398468386 1360584385 /nfs/dbraw/zinc/58/43/85/1360584385.db2.gz FPJCDXHALSQJKV-JKSUJKDBSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001400765275 1362150525 /nfs/dbraw/zinc/15/05/25/1362150525.db2.gz KCPQGJCNWGSUNI-CVEARBPZSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001400765275 1362150527 /nfs/dbraw/zinc/15/05/27/1362150527.db2.gz KCPQGJCNWGSUNI-CVEARBPZSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001405185603 1366095807 /nfs/dbraw/zinc/09/58/07/1366095807.db2.gz OZCQSMIXAQAMMK-IAGOWNOFSA-N 2 2 341.927 2.926 10 30 EFEELP 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ZINC001418126408 1373643501 /nfs/dbraw/zinc/64/35/01/1373643501.db2.gz NPTYWSIXANPAEO-OAHLLOKOSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001418126408 1373643505 /nfs/dbraw/zinc/64/35/05/1373643505.db2.gz NPTYWSIXANPAEO-OAHLLOKOSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140109 1373666048 /nfs/dbraw/zinc/66/60/48/1373666048.db2.gz UCUKWRZOSQOFCA-WMZOPIPTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140109 1373666049 /nfs/dbraw/zinc/66/60/49/1373666049.db2.gz UCUKWRZOSQOFCA-WMZOPIPTSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261712 1388458625 /nfs/dbraw/zinc/45/86/25/1388458625.db2.gz VCZODURNIPHZCX-SJORKVTESA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261712 1388458628 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RVXUWCXZCWSJLL-HZPDHXFCSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001479748300 1397810378 /nfs/dbraw/zinc/81/03/78/1397810378.db2.gz RVXUWCXZCWSJLL-HZPDHXFCSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001479988350 1398073091 /nfs/dbraw/zinc/07/30/91/1398073091.db2.gz JEIGSKXVEWWPFO-HUUCEWRRSA-N 2 2 336.867 2.557 10 30 EFEELP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001479988348 1398073499 /nfs/dbraw/zinc/07/34/99/1398073499.db2.gz JEIGSKXVEWWPFO-CABCVRRESA-N 2 2 336.867 2.557 10 30 EFEELP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480703897 1398296530 /nfs/dbraw/zinc/29/65/30/1398296530.db2.gz VXUSHGZIGWUGSY-ZWKOTPCHSA-N 2 2 336.439 2.526 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC001507359755 1406949889 /nfs/dbraw/zinc/94/98/89/1406949889.db2.gz VWWCYWIWNWEIBC-FUHIMQAGSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC001507359755 1406949890 /nfs/dbraw/zinc/94/98/90/1406949890.db2.gz VWWCYWIWNWEIBC-FUHIMQAGSA-N 2 2 342.487 2.525 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493213319 1398537686 /nfs/dbraw/zinc/53/76/86/1398537686.db2.gz IRWNURHOFTYBIN-JKSUJKDBSA-N 2 2 338.883 2.661 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493213319 1398537691 /nfs/dbraw/zinc/53/76/91/1398537691.db2.gz IRWNURHOFTYBIN-JKSUJKDBSA-N 2 2 338.883 2.661 10 30 EFEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001494198775 1399206400 /nfs/dbraw/zinc/20/64/00/1399206400.db2.gz UMCGYJDJZXBSMJ-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001494198775 1399206405 /nfs/dbraw/zinc/20/64/05/1399206405.db2.gz UMCGYJDJZXBSMJ-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001494198775 1399206411 /nfs/dbraw/zinc/20/64/11/1399206411.db2.gz UMCGYJDJZXBSMJ-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001494198775 1399206415 /nfs/dbraw/zinc/20/64/15/1399206415.db2.gz UMCGYJDJZXBSMJ-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=CC[NH2+]C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@@H]1C ZINC001495319795 1399835803 /nfs/dbraw/zinc/83/58/03/1399835803.db2.gz RTKUXTRHHTYXKP-OXJNMPFZSA-N 2 2 344.503 2.603 10 30 EFEELP C=CCCC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001495327856 1399855843 /nfs/dbraw/zinc/85/58/43/1399855843.db2.gz WVNKUOVXBISSOD-BEFAXECRSA-N 2 2 332.492 2.882 10 30 EFEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001495979920 1400396718 /nfs/dbraw/zinc/39/67/18/1400396718.db2.gz YIHLUKNDNCGCKL-UHFFFAOYSA-N 2 2 343.471 2.523 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001496312818 1400628096 /nfs/dbraw/zinc/62/80/96/1400628096.db2.gz UGYXHTWCIYWPKH-ZWKOTPCHSA-N 2 2 344.503 2.676 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCCC1 ZINC001496313825 1400631002 /nfs/dbraw/zinc/63/10/02/1400631002.db2.gz YNPPORWSZPDIEC-SFHVURJKSA-N 2 2 345.487 2.864 10 30 EFEELP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001496401399 1400706439 /nfs/dbraw/zinc/70/64/39/1400706439.db2.gz VEDYEHIAZZYPLW-RTBURBONSA-N 2 2 344.503 2.854 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001496406394 1400710330 /nfs/dbraw/zinc/71/03/30/1400710330.db2.gz IOOHQSOUGKJFPE-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001496406479 1400710674 /nfs/dbraw/zinc/71/06/74/1400710674.db2.gz JYTDCDJEUPYCHR-SFHVURJKSA-N 2 2 345.487 2.960 10 30 EFEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505059 1400780172 /nfs/dbraw/zinc/78/01/72/1400780172.db2.gz REQCCYLAIWTCMH-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505059 1400780175 /nfs/dbraw/zinc/78/01/75/1400780175.db2.gz REQCCYLAIWTCMH-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001507811887 1407165133 /nfs/dbraw/zinc/16/51/33/1407165133.db2.gz BDVZVBHUDFBJJZ-KRWDZBQOSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001507811887 1407165138 /nfs/dbraw/zinc/16/51/38/1407165138.db2.gz BDVZVBHUDFBJJZ-KRWDZBQOSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001497246726 1401243654 /nfs/dbraw/zinc/24/36/54/1401243654.db2.gz LJGUICWIVDPOIU-AWEZNQCLSA-N 2 2 332.835 2.723 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001499576569 1402694633 /nfs/dbraw/zinc/69/46/33/1402694633.db2.gz LJAZSDNLJGWNCM-PXNSSMCTSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001499576569 1402694637 /nfs/dbraw/zinc/69/46/37/1402694637.db2.gz LJAZSDNLJGWNCM-PXNSSMCTSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001499576974 1402696054 /nfs/dbraw/zinc/69/60/54/1402696054.db2.gz PRNGDVPWGXPDBT-OXJNMPFZSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001499576974 1402696058 /nfs/dbraw/zinc/69/60/58/1402696058.db2.gz PRNGDVPWGXPDBT-OXJNMPFZSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001499614453 1402719746 /nfs/dbraw/zinc/71/97/46/1402719746.db2.gz NOWRIWNBWHLTMS-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001499614453 1402719747 /nfs/dbraw/zinc/71/97/47/1402719747.db2.gz NOWRIWNBWHLTMS-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001501168771 1403471615 /nfs/dbraw/zinc/47/16/15/1403471615.db2.gz JVJXUKUKZDGTTL-OKYOBFRVSA-N 2 2 344.503 2.987 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001501168771 1403471622 /nfs/dbraw/zinc/47/16/22/1403471622.db2.gz JVJXUKUKZDGTTL-OKYOBFRVSA-N 2 2 344.503 2.987 10 30 EFEELP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCC1 ZINC001501966956 1403912916 /nfs/dbraw/zinc/91/29/16/1403912916.db2.gz RPHAZEKKJYGZNI-HNNXBMFYSA-N 2 2 338.883 2.851 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001502837105 1404396468 /nfs/dbraw/zinc/39/64/68/1404396468.db2.gz XJQUQXSUTCDVSM-PBHICJAKSA-N 2 2 332.492 2.832 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001502837105 1404396475 /nfs/dbraw/zinc/39/64/75/1404396475.db2.gz XJQUQXSUTCDVSM-PBHICJAKSA-N 2 2 332.492 2.832 10 30 EFEELP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001505812752 1405099037 /nfs/dbraw/zinc/09/90/37/1405099037.db2.gz CZBNIJHWAPEOJU-UHFFFAOYSA-N 2 2 328.460 2.907 10 30 EFEELP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001565935658 1415175746 /nfs/dbraw/zinc/17/57/46/1415175746.db2.gz GGDKUZFZPGAOCN-AEFFLSMTSA-N 2 2 345.487 2.816 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001565986923 1415470939 /nfs/dbraw/zinc/47/09/39/1415470939.db2.gz UEDOXUKBKIKUFO-SOLBZPMBSA-N 2 2 332.492 2.771 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001565986923 1415470940 /nfs/dbraw/zinc/47/09/40/1415470940.db2.gz UEDOXUKBKIKUFO-SOLBZPMBSA-N 2 2 332.492 2.771 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001565994741 1415475108 /nfs/dbraw/zinc/47/51/08/1415475108.db2.gz JWRHWNZGXBVUAO-ZTFGCOKTSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001565994741 1415475111 /nfs/dbraw/zinc/47/51/11/1415475111.db2.gz JWRHWNZGXBVUAO-ZTFGCOKTSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@H]21 ZINC001565994773 1415475382 /nfs/dbraw/zinc/47/53/82/1415475382.db2.gz KCZCAXRRHCHWQY-MNEFBYGVSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@H]21 ZINC001565994773 1415475383 /nfs/dbraw/zinc/47/53/83/1415475383.db2.gz KCZCAXRRHCHWQY-MNEFBYGVSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566121391 1415520042 /nfs/dbraw/zinc/52/00/42/1415520042.db2.gz GGBJLMRGWYLLJO-ROUUACIJSA-N 2 2 332.492 2.941 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566121391 1415520045 /nfs/dbraw/zinc/52/00/45/1415520045.db2.gz GGBJLMRGWYLLJO-ROUUACIJSA-N 2 2 332.492 2.941 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001566537099 1415623505 /nfs/dbraw/zinc/62/35/05/1415623505.db2.gz HCKTYLJDNKQRRM-ROUUACIJSA-N 2 2 332.492 2.989 10 30 EFEELP C=C(Cl)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001566590266 1415674765 /nfs/dbraw/zinc/67/47/65/1415674765.db2.gz MRLJSODVHGXDKT-UHFFFAOYSA-N 2 2 332.835 2.900 10 30 EFEELP C=C(Cl)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001566590266 1415674769 /nfs/dbraw/zinc/67/47/69/1415674769.db2.gz MRLJSODVHGXDKT-UHFFFAOYSA-N 2 2 332.835 2.900 10 30 EFEELP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001566689505 1415732644 /nfs/dbraw/zinc/73/26/44/1415732644.db2.gz OOHPGHLHXGADFW-IRXDYDNUSA-N 2 2 330.476 2.627 10 30 EFEELP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001566900362 1415831884 /nfs/dbraw/zinc/83/18/84/1415831884.db2.gz RIHIBVZRJHLQPI-GOSISDBHSA-N 2 2 345.487 2.651 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566966849 1415879743 /nfs/dbraw/zinc/87/97/43/1415879743.db2.gz ABGFVJGWDCXWAS-ZWKOTPCHSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566966849 1415879746 /nfs/dbraw/zinc/87/97/46/1415879746.db2.gz ABGFVJGWDCXWAS-ZWKOTPCHSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCC[C@@H](C)[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001567444742 1416141784 /nfs/dbraw/zinc/14/17/84/1416141784.db2.gz TVYSDOBQMZNBIV-OAHLLOKOSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001567444742 1416141787 /nfs/dbraw/zinc/14/17/87/1416141787.db2.gz TVYSDOBQMZNBIV-OAHLLOKOSA-N 2 2 326.444 2.883 10 30 EFEELP CC#CC[N@H+](C)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001567749968 1416271696 /nfs/dbraw/zinc/27/16/96/1416271696.db2.gz WILGLTMVHVIGTQ-UHFFFAOYSA-N 2 2 327.472 2.814 10 30 EFEELP CC#CC[N@@H+](C)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001567749968 1416271698 /nfs/dbraw/zinc/27/16/98/1416271698.db2.gz WILGLTMVHVIGTQ-UHFFFAOYSA-N 2 2 327.472 2.814 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567944952 1416339339 /nfs/dbraw/zinc/33/93/39/1416339339.db2.gz FCWZQAONECNJLE-QGZVFWFLSA-N 2 2 341.927 2.928 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567944952 1416339335 /nfs/dbraw/zinc/33/93/35/1416339335.db2.gz FCWZQAONECNJLE-QGZVFWFLSA-N 2 2 341.927 2.928 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001568068387 1416392192 /nfs/dbraw/zinc/39/21/92/1416392192.db2.gz WAONXVSOFCYEDV-RCCFBDPRSA-N 2 2 344.503 2.708 10 30 EFEELP C=CC[NH2+]CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001568085124 1416403085 /nfs/dbraw/zinc/40/30/85/1416403085.db2.gz POBJMJCCYLGFNA-UHFFFAOYSA-N 2 2 326.444 2.661 10 30 EFEELP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001568106396 1416412763 /nfs/dbraw/zinc/41/27/63/1416412763.db2.gz VCMQWBDAUFSVKO-KZNAEPCWSA-N 2 2 330.476 2.511 10 30 EFEELP C=CCC[NH+]1CCC(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001568125827 1416419829 /nfs/dbraw/zinc/41/98/29/1416419829.db2.gz FVVZWYXBGMHLTH-UHFFFAOYSA-N 2 2 344.503 2.556 10 30 EFEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190803 1417171192 /nfs/dbraw/zinc/17/11/92/1417171192.db2.gz FRUVJAZOFHVTRJ-HNNXBMFYSA-N 2 2 326.444 2.923 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190803 1417171195 /nfs/dbraw/zinc/17/11/95/1417171195.db2.gz FRUVJAZOFHVTRJ-HNNXBMFYSA-N 2 2 326.444 2.923 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001690191085 1417171411 /nfs/dbraw/zinc/17/14/11/1417171411.db2.gz LXNLUULSRWIGOP-ROUUACIJSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001690191085 1417171415 /nfs/dbraw/zinc/17/14/15/1417171415.db2.gz LXNLUULSRWIGOP-ROUUACIJSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690383527 1417203003 /nfs/dbraw/zinc/20/30/03/1417203003.db2.gz QHTFLKKOTVCBQG-KRWDZBQOSA-N 2 2 332.492 2.721 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001690383527 1417203005 /nfs/dbraw/zinc/20/30/05/1417203005.db2.gz QHTFLKKOTVCBQG-KRWDZBQOSA-N 2 2 332.492 2.721 10 30 EFEELP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001690718351 1417230183 /nfs/dbraw/zinc/23/01/83/1417230183.db2.gz GEQFYWBEDDIONX-MSOLQXFVSA-N 2 2 344.503 2.630 10 30 EFEELP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001690718682 1417230420 /nfs/dbraw/zinc/23/04/20/1417230420.db2.gz MOGTVLHXXKTTKL-QZTJIDSGSA-N 2 2 346.519 2.854 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691793747 1417248153 /nfs/dbraw/zinc/24/81/53/1417248153.db2.gz AORLAJYGYRMLNU-RCCFBDPRSA-N 2 2 344.503 2.803 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691793747 1417248159 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C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713392563 1418502933 /nfs/dbraw/zinc/50/29/33/1418502933.db2.gz FMSXFWGIVFELTC-MSOLQXFVSA-N 2 2 332.492 2.969 10 30 EFEELP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001713392563 1418502936 /nfs/dbraw/zinc/50/29/36/1418502936.db2.gz FMSXFWGIVFELTC-MSOLQXFVSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713435157 1418527911 /nfs/dbraw/zinc/52/79/11/1418527911.db2.gz NKWHXRPPDURUIB-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713435157 1418527914 /nfs/dbraw/zinc/52/79/14/1418527914.db2.gz NKWHXRPPDURUIB-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001716715585 1418970818 /nfs/dbraw/zinc/97/08/18/1418970818.db2.gz GBESMMAVZKKNRR-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001716715585 1418970820 /nfs/dbraw/zinc/97/08/20/1418970820.db2.gz GBESMMAVZKKNRR-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001716763238 1418996156 /nfs/dbraw/zinc/99/61/56/1418996156.db2.gz DIPFYQXNMATAKH-JKSUJKDBSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001716795703 1419013769 /nfs/dbraw/zinc/01/37/69/1419013769.db2.gz AJMKKAKXYQSGFN-IRXDYDNUSA-N 2 2 344.503 2.771 10 30 EFEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001716811338 1419024968 /nfs/dbraw/zinc/02/49/68/1419024968.db2.gz VVSCMKPHGDUAKW-UHFFFAOYSA-N 2 2 344.503 2.705 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001716960694 1419111568 /nfs/dbraw/zinc/11/15/68/1419111568.db2.gz FPUZXTCOSQXFNH-DOTOQJQBSA-N 2 2 326.444 2.659 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001716960696 1419111882 /nfs/dbraw/zinc/11/18/82/1419111882.db2.gz FPUZXTCOSQXFNH-RDJZCZTQSA-N 2 2 326.444 2.659 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001716960697 1419111937 /nfs/dbraw/zinc/11/19/37/1419111937.db2.gz FPUZXTCOSQXFNH-WBVHZDCISA-N 2 2 326.444 2.659 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717031598 1419162420 /nfs/dbraw/zinc/16/24/20/1419162420.db2.gz JMNZVVZOGPYIGM-XYVMCAHJSA-N 2 2 328.460 2.545 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717031598 1419162421 /nfs/dbraw/zinc/16/24/21/1419162421.db2.gz JMNZVVZOGPYIGM-XYVMCAHJSA-N 2 2 328.460 2.545 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717031598 1419162425 /nfs/dbraw/zinc/16/24/25/1419162425.db2.gz JMNZVVZOGPYIGM-XYVMCAHJSA-N 2 2 328.460 2.545 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717031598 1419162428 /nfs/dbraw/zinc/16/24/28/1419162428.db2.gz JMNZVVZOGPYIGM-XYVMCAHJSA-N 2 2 328.460 2.545 10 30 EFEELP C#CCC[NH2+]C1(CC)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001717237730 1419280906 /nfs/dbraw/zinc/28/09/06/1419280906.db2.gz WCYRSLZLIKGXPV-UHFFFAOYSA-N 2 2 338.455 2.640 10 30 EFEELP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717447637 1419397983 /nfs/dbraw/zinc/39/79/83/1419397983.db2.gz QUJDJESGMNILSM-ACBHZAAOSA-N 2 2 344.503 2.853 10 30 EFEELP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717530712 1419429518 /nfs/dbraw/zinc/42/95/18/1419429518.db2.gz VSVCJJKTFWFAGX-QGZVFWFLSA-N 2 2 326.444 2.544 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717538255 1419434190 /nfs/dbraw/zinc/43/41/90/1419434190.db2.gz PFTCICWHXKHXAX-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717538255 1419434192 /nfs/dbraw/zinc/43/41/92/1419434192.db2.gz PFTCICWHXKHXAX-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001717552163 1419440995 /nfs/dbraw/zinc/44/09/95/1419440995.db2.gz FUKOUUQVEPRGGI-DLBZAZTESA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001717624435 1419474025 /nfs/dbraw/zinc/47/40/25/1419474025.db2.gz MMNGTDMIGMVRTO-BBWFWOEESA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001717624435 1419474027 /nfs/dbraw/zinc/47/40/27/1419474027.db2.gz MMNGTDMIGMVRTO-BBWFWOEESA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001717624435 1419474028 /nfs/dbraw/zinc/47/40/28/1419474028.db2.gz MMNGTDMIGMVRTO-BBWFWOEESA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001717624435 1419474030 /nfs/dbraw/zinc/47/40/30/1419474030.db2.gz MMNGTDMIGMVRTO-BBWFWOEESA-N 2 2 330.476 2.525 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001717701758 1419515690 /nfs/dbraw/zinc/51/56/90/1419515690.db2.gz MBTQTJSLFKDCFN-IRXDYDNUSA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001717701758 1419515692 /nfs/dbraw/zinc/51/56/92/1419515692.db2.gz MBTQTJSLFKDCFN-IRXDYDNUSA-N 2 2 344.503 2.723 10 30 EFEELP C#CCC[NH2+]C1(CNC(=O)CCC)CC[NH+](Cc2ccccc2)CC1 ZINC001717985477 1419643292 /nfs/dbraw/zinc/64/32/92/1419643292.db2.gz LHXASMHLYOCWTF-UHFFFAOYSA-N 2 2 341.499 2.550 10 30 EFEELP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001722957222 1424386443 /nfs/dbraw/zinc/38/64/43/1424386443.db2.gz YKOSEJKZMUCTHV-WMZOPIPTSA-N 2 2 340.471 2.636 10 30 EFEELP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001723614853 1424536428 /nfs/dbraw/zinc/53/64/28/1424536428.db2.gz OAUYPRQNWCWEAT-IPQPSQTFSA-N 2 2 342.487 2.605 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001723689707 1424557498 /nfs/dbraw/zinc/55/74/98/1424557498.db2.gz BNEAVYJZXNYNST-VQIMIIECSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001723689707 1424557501 /nfs/dbraw/zinc/55/75/01/1424557501.db2.gz BNEAVYJZXNYNST-VQIMIIECSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001723699559 1424562027 /nfs/dbraw/zinc/56/20/27/1424562027.db2.gz MYYCAKWOQGUCCY-QGZVFWFLSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721182 1424567840 /nfs/dbraw/zinc/56/78/40/1424567840.db2.gz JNVCTAQSSMVZCV-PKOBYXMFSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721182 1424567843 /nfs/dbraw/zinc/56/78/43/1424567843.db2.gz JNVCTAQSSMVZCV-PKOBYXMFSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001723768798 1424577452 /nfs/dbraw/zinc/57/74/52/1424577452.db2.gz BPCBEQNDURIAPM-AEFFLSMTSA-N 2 2 332.492 2.968 10 30 EFEELP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001723792390 1424580212 /nfs/dbraw/zinc/58/02/12/1424580212.db2.gz YZSSSSZNYXCPKC-QGZVFWFLSA-N 2 2 346.519 2.867 10 30 EFEELP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001724054064 1424638601 /nfs/dbraw/zinc/63/86/01/1424638601.db2.gz VILDLESJUWSQPO-WAYWQWQTSA-N 2 2 342.487 2.556 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001724088030 1424652692 /nfs/dbraw/zinc/65/26/92/1424652692.db2.gz DCCJRHAWFQFZHI-PKOBYXMFSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001724163914 1424684983 /nfs/dbraw/zinc/68/49/83/1424684983.db2.gz WRDFTISDIOMTBW-FXAWDEMLSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001724163914 1424684985 /nfs/dbraw/zinc/68/49/85/1424684985.db2.gz WRDFTISDIOMTBW-FXAWDEMLSA-N 2 2 344.503 2.773 10 30 EFEELP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001724742216 1424970238 /nfs/dbraw/zinc/97/02/38/1424970238.db2.gz LVNVSCDJFCSHLN-INIZCTEOSA-N 2 2 346.434 2.857 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895341 1425112231 /nfs/dbraw/zinc/11/22/31/1425112231.db2.gz BELIPWAGMJIEBC-XLIONFOSSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895341 1425112240 /nfs/dbraw/zinc/11/22/40/1425112240.db2.gz BELIPWAGMJIEBC-XLIONFOSSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895343 1425113037 /nfs/dbraw/zinc/11/30/37/1425113037.db2.gz BELIPWAGMJIEBC-YLJYHZDGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895343 1425113041 /nfs/dbraw/zinc/11/30/41/1425113041.db2.gz BELIPWAGMJIEBC-YLJYHZDGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895339 1425113365 /nfs/dbraw/zinc/11/33/65/1425113365.db2.gz BELIPWAGMJIEBC-PXNSSMCTSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895339 1425113371 /nfs/dbraw/zinc/11/33/71/1425113371.db2.gz BELIPWAGMJIEBC-PXNSSMCTSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001724897553 1425116339 /nfs/dbraw/zinc/11/63/39/1425116339.db2.gz KENQUWRLYYERHA-HXUWFJFHSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001724897553 1425116350 /nfs/dbraw/zinc/11/63/50/1425116350.db2.gz KENQUWRLYYERHA-HXUWFJFHSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001724897552 1425116449 /nfs/dbraw/zinc/11/64/49/1425116449.db2.gz KENQUWRLYYERHA-FQEVSTJZSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001724897552 1425116455 /nfs/dbraw/zinc/11/64/55/1425116455.db2.gz KENQUWRLYYERHA-FQEVSTJZSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001725254881 1425419350 /nfs/dbraw/zinc/41/93/50/1425419350.db2.gz JYQVGQJJYBHSGQ-DLBZAZTESA-N 2 2 344.503 2.628 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001725344482 1425493271 /nfs/dbraw/zinc/49/32/71/1425493271.db2.gz APTKSWRATKBNRX-RLLQIKCJSA-N 2 2 344.503 2.798 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001725344482 1425493273 /nfs/dbraw/zinc/49/32/73/1425493273.db2.gz APTKSWRATKBNRX-RLLQIKCJSA-N 2 2 344.503 2.798 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001725559056 1425647895 /nfs/dbraw/zinc/64/78/95/1425647895.db2.gz MUSYEEDCOASNFX-WBVHZDCISA-N 2 2 326.444 2.802 10 30 EFEELP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001725611679 1425703409 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333.439 2.506 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850980 728292425 /nfs/dbraw/zinc/29/24/25/728292425.db2.gz RDMMXNAJUMFHNN-SJORKVTESA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850980 728292427 /nfs/dbraw/zinc/29/24/27/728292427.db2.gz RDMMXNAJUMFHNN-SJORKVTESA-N 2 2 344.503 2.628 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001569448085 1085230451 /nfs/dbraw/zinc/23/04/51/1085230451.db2.gz GELGQXQNQRJOHT-MSOLQXFVSA-N 2 2 332.492 2.919 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001569448085 1085230461 /nfs/dbraw/zinc/23/04/61/1085230461.db2.gz GELGQXQNQRJOHT-MSOLQXFVSA-N 2 2 332.492 2.919 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001569468192 1085265868 /nfs/dbraw/zinc/26/58/68/1085265868.db2.gz ZZDHIMJYLDFVCE-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001569468192 1085265876 /nfs/dbraw/zinc/26/58/76/1085265876.db2.gz ZZDHIMJYLDFVCE-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001569594007 1085416520 /nfs/dbraw/zinc/41/65/20/1085416520.db2.gz UBSMKPKKRAEAIL-SJORKVTESA-N 2 2 348.466 2.509 10 30 EFEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001569686376 1085517416 /nfs/dbraw/zinc/51/74/16/1085517416.db2.gz DSAURUFUFQVAOK-FQEVSTJZSA-N 2 2 340.471 2.590 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001569840687 1085663109 /nfs/dbraw/zinc/66/31/09/1085663109.db2.gz FGRRITHXNWNYGH-WBVHZDCISA-N 2 2 332.492 2.577 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001569914663 1085759461 /nfs/dbraw/zinc/75/94/61/1085759461.db2.gz IRJULZSYJVFRKE-MOPGFXCFSA-N 2 2 346.519 2.998 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001569914663 1085759468 /nfs/dbraw/zinc/75/94/68/1085759468.db2.gz IRJULZSYJVFRKE-MOPGFXCFSA-N 2 2 346.519 2.998 10 30 EFEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001570033639 1085887687 /nfs/dbraw/zinc/88/76/87/1085887687.db2.gz YPGGVKHCDZIHDL-OAHLLOKOSA-N 2 2 326.444 2.506 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001570056691 1085912275 /nfs/dbraw/zinc/91/22/75/1085912275.db2.gz YMQDJJFDZZMKJC-INIZCTEOSA-N 2 2 344.503 2.966 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395899 1086199820 /nfs/dbraw/zinc/19/98/20/1086199820.db2.gz SKVIRUOCAWHOKK-IAGOWNOFSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395899 1086199824 /nfs/dbraw/zinc/19/98/24/1086199824.db2.gz SKVIRUOCAWHOKK-IAGOWNOFSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395900 1086200109 /nfs/dbraw/zinc/20/01/09/1086200109.db2.gz SKVIRUOCAWHOKK-IRXDYDNUSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395900 1086200120 /nfs/dbraw/zinc/20/01/20/1086200120.db2.gz SKVIRUOCAWHOKK-IRXDYDNUSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001570505152 1086293097 /nfs/dbraw/zinc/29/30/97/1086293097.db2.gz LTVXFHHUTAWUHW-KRWDZBQOSA-N 2 2 332.492 2.798 10 30 EFEELP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001570505152 1086293110 /nfs/dbraw/zinc/29/31/10/1086293110.db2.gz LTVXFHHUTAWUHW-KRWDZBQOSA-N 2 2 332.492 2.798 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001570534045 1086325582 /nfs/dbraw/zinc/32/55/82/1086325582.db2.gz AUABHPHPNPTQNB-SJLPKXTDSA-N 2 2 345.487 2.910 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001570534045 1086325593 /nfs/dbraw/zinc/32/55/93/1086325593.db2.gz AUABHPHPNPTQNB-SJLPKXTDSA-N 2 2 345.487 2.910 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001570537226 1086330830 /nfs/dbraw/zinc/33/08/30/1086330830.db2.gz ZPFCOAGMOKIINS-INIZCTEOSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001570537226 1086330842 /nfs/dbraw/zinc/33/08/42/1086330842.db2.gz ZPFCOAGMOKIINS-INIZCTEOSA-N 2 2 326.444 2.837 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001570551739 1086357542 /nfs/dbraw/zinc/35/75/42/1086357542.db2.gz SYPMDCGAVYFGGQ-MOPGFXCFSA-N 2 2 344.503 2.800 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001570551739 1086357555 /nfs/dbraw/zinc/35/75/55/1086357555.db2.gz SYPMDCGAVYFGGQ-MOPGFXCFSA-N 2 2 344.503 2.800 10 30 EFEELP C#CCC[NH2+][C@@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001570774027 1086511174 /nfs/dbraw/zinc/51/11/74/1086511174.db2.gz AHGBPYRGDRFJEI-SFHVURJKSA-N 2 2 340.471 2.742 10 30 EFEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001570845620 1086563927 /nfs/dbraw/zinc/56/39/27/1086563927.db2.gz MZUBDIJGTALKHP-IAGOWNOFSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001571021188 1086644098 /nfs/dbraw/zinc/64/40/98/1086644098.db2.gz DZJZTPUFDDSEQV-OTWHNJEPSA-N 2 2 344.503 2.846 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001571021188 1086644100 /nfs/dbraw/zinc/64/41/00/1086644100.db2.gz DZJZTPUFDDSEQV-OTWHNJEPSA-N 2 2 344.503 2.846 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001571504336 1086909906 /nfs/dbraw/zinc/90/99/06/1086909906.db2.gz CPXQYCGBXIQMFQ-HKUYNNGSSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001571504336 1086909910 /nfs/dbraw/zinc/90/99/10/1086909910.db2.gz CPXQYCGBXIQMFQ-HKUYNNGSSA-N 2 2 330.476 2.743 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001571540949 1086947429 /nfs/dbraw/zinc/94/74/29/1086947429.db2.gz WDEVNEFJRCYYSB-HOTGVXAUSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC001571625041 1086995382 /nfs/dbraw/zinc/99/53/82/1086995382.db2.gz VEOPDPFRFXBQDN-KRWDZBQOSA-N 2 2 346.519 2.849 10 30 EFEELP C=CC[NH2+]C1(CNC(=O)C2(C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001571651182 1087021899 /nfs/dbraw/zinc/02/18/99/1087021899.db2.gz OJYUWBWPCDVSHX-UHFFFAOYSA-N 2 2 341.499 2.713 10 30 EFEELP C=CCC[N@H+]1CC=C(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001571696742 1087065833 /nfs/dbraw/zinc/06/58/33/1087065833.db2.gz DUVKSTNWLOKHLY-UHFFFAOYSA-N 2 2 338.455 2.510 10 30 EFEELP C=CCC[N@@H+]1CC=C(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001571696742 1087065836 /nfs/dbraw/zinc/06/58/36/1087065836.db2.gz DUVKSTNWLOKHLY-UHFFFAOYSA-N 2 2 338.455 2.510 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296468 1093502140 /nfs/dbraw/zinc/50/21/40/1093502140.db2.gz 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ZINC001270341335 1098983610 /nfs/dbraw/zinc/98/36/10/1098983610.db2.gz XMQXYXPORBEPQI-INIZCTEOSA-N 2 2 344.503 2.930 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC001270368634 1099015919 /nfs/dbraw/zinc/01/59/19/1099015919.db2.gz GWMPDLZJVLCXIM-LJQANCHMSA-N 2 2 346.434 2.576 10 30 EFEELP CC#CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001270423325 1099081995 /nfs/dbraw/zinc/08/19/95/1099081995.db2.gz UTQQJBUMESLTQN-SFHVURJKSA-N 2 2 327.472 2.908 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001270484210 1099136563 /nfs/dbraw/zinc/13/65/63/1099136563.db2.gz SFXBQVACRRPTCT-AABGKKOBSA-N 2 2 345.531 2.586 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001270484210 1099136565 /nfs/dbraw/zinc/13/65/65/1099136565.db2.gz SFXBQVACRRPTCT-AABGKKOBSA-N 2 2 345.531 2.586 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001270484210 1099136569 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/nfs/dbraw/zinc/00/75/11/1113007511.db2.gz RMWWJCXSGZKGLU-UHFFFAOYSA-N 2 2 349.906 2.971 10 30 EFEELP C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC001484556143 1113016689 /nfs/dbraw/zinc/01/66/89/1113016689.db2.gz KUVWCVIGPAGJFS-UHFFFAOYSA-N 2 2 334.423 2.882 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484575683 1113040477 /nfs/dbraw/zinc/04/04/77/1113040477.db2.gz XRRFTNZUGHVYNH-XIRDDKMYSA-N 2 2 332.492 2.880 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484575682 1113040646 /nfs/dbraw/zinc/04/06/46/1113040646.db2.gz XRRFTNZUGHVYNH-DJIMGWMZSA-N 2 2 332.492 2.880 10 30 EFEELP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001484578282 1113042694 /nfs/dbraw/zinc/04/26/94/1113042694.db2.gz HVVSARGKVFNLFQ-QGZVFWFLSA-N 2 2 330.476 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001485033410 1117966053 /nfs/dbraw/zinc/96/60/53/1117966053.db2.gz GRVYHSJVHHPLFG-MRXNPFEDSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001485033410 1117966055 /nfs/dbraw/zinc/96/60/55/1117966055.db2.gz GRVYHSJVHHPLFG-MRXNPFEDSA-N 2 2 332.492 2.867 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485176945 1118111885 /nfs/dbraw/zinc/11/18/85/1118111885.db2.gz MRDBEZWVRQOFGG-ZIAGYGMSSA-N 2 2 332.835 2.721 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001485239294 1118170898 /nfs/dbraw/zinc/17/08/98/1118170898.db2.gz INNJPAGYIXMNRE-AOCRQIFASA-N 2 2 344.503 2.771 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001485240920 1118172460 /nfs/dbraw/zinc/17/24/60/1118172460.db2.gz RPWUXAPJQPCSFP-KLAILNCOSA-N 2 2 332.492 2.677 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001485242209 1118174025 /nfs/dbraw/zinc/17/40/25/1118174025.db2.gz WWNJVMSEHVLENM-HJOIGYKYSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001485242209 1118174027 /nfs/dbraw/zinc/17/40/27/1118174027.db2.gz WWNJVMSEHVLENM-HJOIGYKYSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001485242856 1118174396 /nfs/dbraw/zinc/17/43/96/1118174396.db2.gz WCLWPIKPGASWLC-UHFFFAOYSA-N 2 2 332.492 2.678 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001272699534 1118325365 /nfs/dbraw/zinc/32/53/65/1118325365.db2.gz BABQWGGYESWQOC-BMGDILEWSA-N 2 2 338.455 2.677 10 30 EFEELP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001485512868 1118420831 /nfs/dbraw/zinc/42/08/31/1118420831.db2.gz OTDDMVPTUXTCNC-KBPBESRZSA-N 2 2 326.444 2.968 10 30 EFEELP C=CCOCC[N@@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001485759720 1118564668 /nfs/dbraw/zinc/56/46/68/1118564668.db2.gz FQHZJVGWLATDOU-UHFFFAOYSA-N 2 2 345.487 2.746 10 30 EFEELP C=CCOCC[N@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001485759720 1118564670 /nfs/dbraw/zinc/56/46/70/1118564670.db2.gz FQHZJVGWLATDOU-UHFFFAOYSA-N 2 2 345.487 2.746 10 30 EFEELP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940747704 1118624846 /nfs/dbraw/zinc/62/48/46/1118624846.db2.gz MRLVFGVMUXLPQR-MRXNPFEDSA-N 2 2 326.444 2.659 10 30 EFEELP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940747704 1118624847 /nfs/dbraw/zinc/62/48/47/1118624847.db2.gz MRLVFGVMUXLPQR-MRXNPFEDSA-N 2 2 326.444 2.659 10 30 EFEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000195249955 240212723 /nfs/dbraw/zinc/21/27/23/240212723.db2.gz FCYYVIRHXDDPKF-OAHLLOKOSA-N 2 2 338.546 2.852 10 30 EFEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000195249955 240212728 /nfs/dbraw/zinc/21/27/28/240212728.db2.gz FCYYVIRHXDDPKF-OAHLLOKOSA-N 2 2 338.546 2.852 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000195249955 240212734 /nfs/dbraw/zinc/21/27/34/240212734.db2.gz FCYYVIRHXDDPKF-OAHLLOKOSA-N 2 2 338.546 2.852 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000195249955 240212740 /nfs/dbraw/zinc/21/27/40/240212740.db2.gz FCYYVIRHXDDPKF-OAHLLOKOSA-N 2 2 338.546 2.852 10 30 EFEELP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@](C)(CC)C1 ZINC000261740528 240321153 /nfs/dbraw/zinc/32/11/53/240321153.db2.gz KQEYOXUYGNNCHN-IBGZPJMESA-N 2 2 340.475 2.855 10 30 EFEELP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000328622442 241209186 /nfs/dbraw/zinc/20/91/86/241209186.db2.gz YEXXRMUGEQUJJG-IRXDYDNUSA-N 2 2 345.491 2.625 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)CCC2 ZINC000328657115 241213610 /nfs/dbraw/zinc/21/36/10/241213610.db2.gz OKCKMRCDSUFKLP-SJORKVTESA-N 2 2 347.507 2.693 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329321511 241347123 /nfs/dbraw/zinc/34/71/23/241347123.db2.gz RNNRCYVRCPSIRV-KRWDZBQOSA-N 2 2 345.491 2.584 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329321512 241348440 /nfs/dbraw/zinc/34/84/40/241348440.db2.gz RNNRCYVRCPSIRV-QGZVFWFLSA-N 2 2 345.491 2.584 10 30 EFEELP C[NH+](C)CC1(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000329557383 241394835 /nfs/dbraw/zinc/39/48/35/241394835.db2.gz HROUAIDCTBGBNE-KRWDZBQOSA-N 2 2 346.475 2.571 10 30 EFEELP C[N@H+](CC#Cc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000364582361 242303341 /nfs/dbraw/zinc/30/33/41/242303341.db2.gz LPGPBYZRLGSFKR-JOCHJYFZSA-N 2 2 334.463 2.607 10 30 EFEELP C[N@@H+](CC#Cc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000364582361 242303345 /nfs/dbraw/zinc/30/33/45/242303345.db2.gz LPGPBYZRLGSFKR-JOCHJYFZSA-N 2 2 334.463 2.607 10 30 EFEELP C[NH+](CC#Cc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000364582361 242303347 /nfs/dbraw/zinc/30/33/47/242303347.db2.gz LPGPBYZRLGSFKR-JOCHJYFZSA-N 2 2 334.463 2.607 10 30 EFEELP C[NH+](CC#Cc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000364582361 242303352 /nfs/dbraw/zinc/30/33/52/242303352.db2.gz LPGPBYZRLGSFKR-JOCHJYFZSA-N 2 2 334.463 2.607 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](CO)C3)CC2)cc1 ZINC000414345653 244098280 /nfs/dbraw/zinc/09/82/80/244098280.db2.gz SWSFUOGJAZUYPK-AZUAARDMSA-N 2 2 327.472 2.663 10 30 EFEELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1nc2c(s1)CCC2 ZINC000329759009 285230876 /nfs/dbraw/zinc/23/08/76/285230876.db2.gz OIUNCXAHVRGRNT-UHFFFAOYSA-N 2 2 331.445 2.823 10 30 EFEELP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000118532874 221154618 /nfs/dbraw/zinc/15/46/18/221154618.db2.gz SGBNVGXJFRKAIS-KRWDZBQOSA-N 2 2 337.471 2.912 10 30 EFEELP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000118532874 221154619 /nfs/dbraw/zinc/15/46/19/221154619.db2.gz SGBNVGXJFRKAIS-KRWDZBQOSA-N 2 2 337.471 2.912 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccc(C#N)c3)CCC[NH+]2C)cn1 ZINC000328624855 258033958 /nfs/dbraw/zinc/03/39/58/258033958.db2.gz CRFNUULTWHQSQU-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccc(C#N)c3)CCC[NH+]2C)cn1 ZINC000328624855 258033960 /nfs/dbraw/zinc/03/39/60/258033960.db2.gz CRFNUULTWHQSQU-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000328624855 258033961 /nfs/dbraw/zinc/03/39/61/258033961.db2.gz CRFNUULTWHQSQU-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc(C#N)c3)CCC[N@H+]2C)cn1 ZINC000328624855 258033962 /nfs/dbraw/zinc/03/39/62/258033962.db2.gz CRFNUULTWHQSQU-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1F ZINC000352839850 146330047 /nfs/dbraw/zinc/33/00/47/146330047.db2.gz LJQLXHNORBMNGF-UHFFFAOYSA-N 2 2 327.388 2.938 10 30 EFEELP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c(C)[nH+]1 ZINC000301794461 267348992 /nfs/dbraw/zinc/34/89/92/267348992.db2.gz SHYDNIRREIZYNI-GOSISDBHSA-N 2 2 336.439 2.883 10 30 EFEELP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c(C)[nH+]1 ZINC000301794461 267348994 /nfs/dbraw/zinc/34/89/94/267348994.db2.gz SHYDNIRREIZYNI-GOSISDBHSA-N 2 2 336.439 2.883 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000578196298 320182606 /nfs/dbraw/zinc/18/26/06/320182606.db2.gz CHUHEGRAFOUPTB-KRWDZBQOSA-N 2 2 328.416 2.917 10 30 EFEELP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000578196298 320182607 /nfs/dbraw/zinc/18/26/07/320182607.db2.gz CHUHEGRAFOUPTB-KRWDZBQOSA-N 2 2 328.416 2.917 10 30 EFEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190488363 473291848 /nfs/dbraw/zinc/29/18/48/473291848.db2.gz OEEYEIMPSOQPIO-MRXNPFEDSA-N 2 2 326.469 2.969 10 30 EFEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190488363 473291857 /nfs/dbraw/zinc/29/18/57/473291857.db2.gz OEEYEIMPSOQPIO-MRXNPFEDSA-N 2 2 326.469 2.969 10 30 EFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000190488363 473291871 /nfs/dbraw/zinc/29/18/71/473291871.db2.gz OEEYEIMPSOQPIO-MRXNPFEDSA-N 2 2 326.469 2.969 10 30 EFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190488363 473291878 /nfs/dbraw/zinc/29/18/78/473291878.db2.gz OEEYEIMPSOQPIO-MRXNPFEDSA-N 2 2 326.469 2.969 10 30 EFEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177151348 473318456 /nfs/dbraw/zinc/31/84/56/473318456.db2.gz XMMIDEMJZJNCNR-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177151348 473318462 /nfs/dbraw/zinc/31/84/62/473318462.db2.gz XMMIDEMJZJNCNR-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP CN(CCC#N)c1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000030902411 472354546 /nfs/dbraw/zinc/35/45/46/472354546.db2.gz JFCLOPWNFBZFCI-UHFFFAOYSA-N 2 2 346.438 2.907 10 30 EFEELP CCCC[NH+]=C(NCCCOCC)NCCc1cn2c([nH+]1)CCCC2 ZINC000071905340 472610766 /nfs/dbraw/zinc/61/07/66/472610766.db2.gz KTXDKCZDOCBECY-UHFFFAOYSA-N 2 2 349.523 2.524 10 30 EFEELP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156546336 472722906 /nfs/dbraw/zinc/72/29/06/472722906.db2.gz GJBZAACOZKYOAS-QAPCUYQASA-N 2 2 337.427 2.666 10 30 EFEELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156546336 472722913 /nfs/dbraw/zinc/72/29/13/472722913.db2.gz GJBZAACOZKYOAS-QAPCUYQASA-N 2 2 337.427 2.666 10 30 EFEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079210 472855476 /nfs/dbraw/zinc/85/54/76/472855476.db2.gz WVVBLLVCSZJLRX-IRXDYDNUSA-N 2 2 343.471 2.663 10 30 EFEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079210 472855480 /nfs/dbraw/zinc/85/54/80/472855480.db2.gz WVVBLLVCSZJLRX-IRXDYDNUSA-N 2 2 343.471 2.663 10 30 EFEELP N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812589 472992276 /nfs/dbraw/zinc/99/22/76/472992276.db2.gz NEFGZGNEBXIXES-MRXNPFEDSA-N 2 2 332.411 2.535 10 30 EFEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812589 472992284 /nfs/dbraw/zinc/99/22/84/472992284.db2.gz NEFGZGNEBXIXES-MRXNPFEDSA-N 2 2 332.411 2.535 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093146696 473053520 /nfs/dbraw/zinc/05/35/20/473053520.db2.gz ZSSWCDFRHJQKHI-HXUWFJFHSA-N 2 2 343.515 2.853 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093146696 473053525 /nfs/dbraw/zinc/05/35/25/473053525.db2.gz ZSSWCDFRHJQKHI-HXUWFJFHSA-N 2 2 343.515 2.853 10 30 EFEELP N#Cc1ccc2[nH+]cc(CNc3cccc(C[NH+]4CCOCC4)c3)n2c1 ZINC000122806155 473060724 /nfs/dbraw/zinc/06/07/24/473060724.db2.gz KGNOWNQYBQXKPB-UHFFFAOYSA-N 2 2 347.422 2.650 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)n2c1 ZINC000123449110 473142395 /nfs/dbraw/zinc/14/23/95/473142395.db2.gz QCEVWCMYJUDGHQ-UHFFFAOYSA-N 2 2 346.369 2.821 10 30 EFEELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191975939 473598170 /nfs/dbraw/zinc/59/81/70/473598170.db2.gz INTUGPASGBSVKT-BGYRXZFFSA-N 2 2 325.500 2.529 10 30 EFEELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191975939 473598174 /nfs/dbraw/zinc/59/81/74/473598174.db2.gz INTUGPASGBSVKT-BGYRXZFFSA-N 2 2 325.500 2.529 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282060031 473933406 /nfs/dbraw/zinc/93/34/06/473933406.db2.gz MPNYZYCCKYVRHT-KRWDZBQOSA-N 2 2 344.503 2.823 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282060031 473933410 /nfs/dbraw/zinc/93/34/10/473933410.db2.gz MPNYZYCCKYVRHT-KRWDZBQOSA-N 2 2 344.503 2.823 10 30 EFEELP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670688 473935959 /nfs/dbraw/zinc/93/59/59/473935959.db2.gz JQPXCMKZDKZJAB-HOTGVXAUSA-N 2 2 339.443 2.531 10 30 EFEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2c1 ZINC000246888045 473993133 /nfs/dbraw/zinc/99/31/33/473993133.db2.gz TXYGOAIDJZJEOT-QFBILLFUSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000246888045 473993140 /nfs/dbraw/zinc/99/31/40/473993140.db2.gz TXYGOAIDJZJEOT-QFBILLFUSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000246888045 473993147 /nfs/dbraw/zinc/99/31/47/473993147.db2.gz TXYGOAIDJZJEOT-QFBILLFUSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2c1 ZINC000246888032 473993494 /nfs/dbraw/zinc/99/34/94/473993494.db2.gz TXYGOAIDJZJEOT-LPHOPBHVSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000246888032 473993498 /nfs/dbraw/zinc/99/34/98/473993498.db2.gz TXYGOAIDJZJEOT-LPHOPBHVSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000246888032 473993504 /nfs/dbraw/zinc/99/35/04/473993504.db2.gz TXYGOAIDJZJEOT-LPHOPBHVSA-N 2 2 335.455 2.655 10 30 EFEELP C=CCCC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000181425058 474035556 /nfs/dbraw/zinc/03/55/56/474035556.db2.gz KNPNODLEEOMYHQ-KAKFPZCNSA-N 2 2 348.535 2.684 10 30 EFEELP C=CCCC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181425058 474035565 /nfs/dbraw/zinc/03/55/65/474035565.db2.gz KNPNODLEEOMYHQ-KAKFPZCNSA-N 2 2 348.535 2.684 10 30 EFEELP N#Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000265454545 474221555 /nfs/dbraw/zinc/22/15/55/474221555.db2.gz DAPRRVQCOUXRMT-UHFFFAOYSA-N 2 2 343.818 2.753 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000248717459 474414001 /nfs/dbraw/zinc/41/40/01/474414001.db2.gz BYOWMUZSHWEYRN-OXQOHEQNSA-N 2 2 345.450 2.816 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000248717459 474414003 /nfs/dbraw/zinc/41/40/03/474414003.db2.gz BYOWMUZSHWEYRN-OXQOHEQNSA-N 2 2 345.450 2.816 10 30 EFEELP COc1cc(C#N)ccc1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266721776 474459858 /nfs/dbraw/zinc/45/98/58/474459858.db2.gz HUEBUACJTLLJGI-UHFFFAOYSA-N 2 2 326.400 2.548 10 30 EFEELP C[N@@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207080 474904790 /nfs/dbraw/zinc/90/47/90/474904790.db2.gz SXAGANPOHFYBEE-QGZVFWFLSA-N 2 2 338.373 2.964 10 30 EFEELP C[N@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207080 474904799 /nfs/dbraw/zinc/90/47/99/474904799.db2.gz SXAGANPOHFYBEE-QGZVFWFLSA-N 2 2 338.373 2.964 10 30 EFEELP C[NH+]1CC[C@@]2(CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207080 474904808 /nfs/dbraw/zinc/90/48/08/474904808.db2.gz SXAGANPOHFYBEE-QGZVFWFLSA-N 2 2 338.373 2.964 10 30 EFEELP C[NH+]1CC[C@@]2(CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207080 474904816 /nfs/dbraw/zinc/90/48/16/474904816.db2.gz SXAGANPOHFYBEE-QGZVFWFLSA-N 2 2 338.373 2.964 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cc(C#N)cs2)CCC[N@@H+]1C ZINC000328935330 475056237 /nfs/dbraw/zinc/05/62/37/475056237.db2.gz FOKXUTPVZJKSEJ-WMLDXEAASA-N 2 2 329.473 2.526 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cc(C#N)cs2)CCC[N@H+]1C ZINC000328935330 475056247 /nfs/dbraw/zinc/05/62/47/475056247.db2.gz FOKXUTPVZJKSEJ-WMLDXEAASA-N 2 2 329.473 2.526 10 30 EFEELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(F)F ZINC000295136115 475106068 /nfs/dbraw/zinc/10/60/68/475106068.db2.gz YUDRWQNJXCNQHW-SJORKVTESA-N 2 2 337.414 2.517 10 30 EFEELP Oc1ccc2c(c1)C[NH+](CC#CC[N@H+]1CCc3ccc(O)cc3C1)CC2 ZINC000341910428 475405348 /nfs/dbraw/zinc/40/53/48/475405348.db2.gz NSQVMUKHOUVQAA-UHFFFAOYSA-N 2 2 348.446 2.518 10 30 EFEELP Oc1ccc2c(c1)C[NH+](CC#CC[N@@H+]1CCc3ccc(O)cc3C1)CC2 ZINC000341910428 475405353 /nfs/dbraw/zinc/40/53/53/475405353.db2.gz NSQVMUKHOUVQAA-UHFFFAOYSA-N 2 2 348.446 2.518 10 30 EFEELP CC1=CC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000358234087 475514152 /nfs/dbraw/zinc/51/41/52/475514152.db2.gz WDOJSIIMDDYDBK-UHFFFAOYSA-N 2 2 338.499 2.764 10 30 EFEELP CC1=CC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000358234087 475514160 /nfs/dbraw/zinc/51/41/60/475514160.db2.gz WDOJSIIMDDYDBK-UHFFFAOYSA-N 2 2 338.499 2.764 10 30 EFEELP CC1=CCN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000358234087 475514167 /nfs/dbraw/zinc/51/41/67/475514167.db2.gz WDOJSIIMDDYDBK-UHFFFAOYSA-N 2 2 338.499 2.764 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637814 475792789 /nfs/dbraw/zinc/79/27/89/475792789.db2.gz WXWULFAEQXNNAQ-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637814 475792794 /nfs/dbraw/zinc/79/27/94/475792794.db2.gz WXWULFAEQXNNAQ-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637814 475792806 /nfs/dbraw/zinc/79/28/06/475792806.db2.gz WXWULFAEQXNNAQ-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637814 475792810 /nfs/dbraw/zinc/79/28/10/475792810.db2.gz WXWULFAEQXNNAQ-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP Cc1cc[nH+]cc1N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000340515463 476077655 /nfs/dbraw/zinc/07/76/55/476077655.db2.gz QPPSPRJMKIZTQG-UHFFFAOYSA-N 2 2 336.439 2.853 10 30 EFEELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547238 477062512 /nfs/dbraw/zinc/06/25/12/477062512.db2.gz YFOKOCBBQURVQG-MRXNPFEDSA-N 2 2 334.261 2.848 10 30 EFEELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547238 477062520 /nfs/dbraw/zinc/06/25/20/477062520.db2.gz YFOKOCBBQURVQG-MRXNPFEDSA-N 2 2 334.261 2.848 10 30 EFEELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547238 477062525 /nfs/dbraw/zinc/06/25/25/477062525.db2.gz YFOKOCBBQURVQG-MRXNPFEDSA-N 2 2 334.261 2.848 10 30 EFEELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547238 477062534 /nfs/dbraw/zinc/06/25/34/477062534.db2.gz YFOKOCBBQURVQG-MRXNPFEDSA-N 2 2 334.261 2.848 10 30 EFEELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000424161013 477313337 /nfs/dbraw/zinc/31/33/37/477313337.db2.gz BDLDHVIQOCOBLN-SFHVURJKSA-N 2 2 337.427 2.621 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380111 477734478 /nfs/dbraw/zinc/73/44/78/477734478.db2.gz REMXJYIUGWIXHY-LPHOPBHVSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380111 477734484 /nfs/dbraw/zinc/73/44/84/477734484.db2.gz REMXJYIUGWIXHY-LPHOPBHVSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380114 477734702 /nfs/dbraw/zinc/73/47/02/477734702.db2.gz REMXJYIUGWIXHY-QFBILLFUSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380114 477734708 /nfs/dbraw/zinc/73/47/08/477734708.db2.gz REMXJYIUGWIXHY-QFBILLFUSA-N 2 2 347.528 2.727 10 30 EFEELP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cc1 ZINC000367916975 477753455 /nfs/dbraw/zinc/75/34/55/477753455.db2.gz KISYEVNFVXOZGM-LJQANCHMSA-N 2 2 349.438 2.656 10 30 EFEELP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cc1 ZINC000367916975 477753462 /nfs/dbraw/zinc/75/34/62/477753462.db2.gz KISYEVNFVXOZGM-LJQANCHMSA-N 2 2 349.438 2.656 10 30 EFEELP N#CCCn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccccc2)n1 ZINC000368089259 477783587 /nfs/dbraw/zinc/78/35/87/477783587.db2.gz KVQAGCICUCXZNO-QGZVFWFLSA-N 2 2 346.438 2.834 10 30 EFEELP N#CCCn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccccc2)n1 ZINC000368089259 477783596 /nfs/dbraw/zinc/78/35/96/477783596.db2.gz KVQAGCICUCXZNO-QGZVFWFLSA-N 2 2 346.438 2.834 10 30 EFEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445525 478391847 /nfs/dbraw/zinc/39/18/47/478391847.db2.gz HAAZNAKPFWYXTE-HIFRSBDPSA-N 2 2 349.504 2.725 10 30 EFEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445525 478391855 /nfs/dbraw/zinc/39/18/55/478391855.db2.gz HAAZNAKPFWYXTE-HIFRSBDPSA-N 2 2 349.504 2.725 10 30 EFEELP CC1CC[NH+](Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)CC1 ZINC000594463616 478399600 /nfs/dbraw/zinc/39/96/00/478399600.db2.gz IHPWTKIBCQWYGI-OAHLLOKOSA-N 2 2 349.504 2.725 10 30 EFEELP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[NH+]2CCCC2)cc1 ZINC000600722001 478485236 /nfs/dbraw/zinc/48/52/36/478485236.db2.gz PIJIANUUYBALIU-RTBURBONSA-N 2 2 327.472 2.776 10 30 EFEELP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736610 478497287 /nfs/dbraw/zinc/49/72/87/478497287.db2.gz RRSMKPOBCMYFPQ-OALUTQOASA-N 2 2 327.472 2.541 10 30 EFEELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736610 478497293 /nfs/dbraw/zinc/49/72/93/478497293.db2.gz RRSMKPOBCMYFPQ-OALUTQOASA-N 2 2 327.472 2.541 10 30 EFEELP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527805715 478529682 /nfs/dbraw/zinc/52/96/82/478529682.db2.gz WHNKZCSAOOGTFM-UIVXKWKOSA-N 2 2 327.472 2.924 10 30 EFEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137734 478681682 /nfs/dbraw/zinc/68/16/82/478681682.db2.gz HCOAWLCAANXIRW-GOEBONIOSA-N 2 2 326.469 2.872 10 30 EFEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137734 478681690 /nfs/dbraw/zinc/68/16/90/478681690.db2.gz HCOAWLCAANXIRW-GOEBONIOSA-N 2 2 326.469 2.872 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000598723372 478991149 /nfs/dbraw/zinc/99/11/49/478991149.db2.gz HFLPXGGEEBCPGH-UYAOXDASSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000598723372 478991156 /nfs/dbraw/zinc/99/11/56/478991156.db2.gz HFLPXGGEEBCPGH-UYAOXDASSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000598723371 478991382 /nfs/dbraw/zinc/99/13/82/478991382.db2.gz HFLPXGGEEBCPGH-QUCCMNQESA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000598723371 478991387 /nfs/dbraw/zinc/99/13/87/478991387.db2.gz HFLPXGGEEBCPGH-QUCCMNQESA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864924 479039457 /nfs/dbraw/zinc/03/94/57/479039457.db2.gz XHLCQQOTUFBBEZ-IBGZPJMESA-N 2 2 327.472 2.519 10 30 EFEELP CC(C)(C#N)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864924 479039464 /nfs/dbraw/zinc/03/94/64/479039464.db2.gz XHLCQQOTUFBBEZ-IBGZPJMESA-N 2 2 327.472 2.519 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972370 479109444 /nfs/dbraw/zinc/10/94/44/479109444.db2.gz QDRFWGYENIBESZ-WMZOPIPTSA-N 2 2 340.471 2.516 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972370 479109450 /nfs/dbraw/zinc/10/94/50/479109450.db2.gz QDRFWGYENIBESZ-WMZOPIPTSA-N 2 2 340.471 2.516 10 30 EFEELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N ZINC000599340391 479261991 /nfs/dbraw/zinc/26/19/91/479261991.db2.gz VDKSEEWHOREXHK-WCRBZPEASA-N 2 2 338.499 2.610 10 30 EFEELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N ZINC000599340391 479261998 /nfs/dbraw/zinc/26/19/98/479261998.db2.gz VDKSEEWHOREXHK-WCRBZPEASA-N 2 2 338.499 2.610 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000599663067 479378521 /nfs/dbraw/zinc/37/85/21/479378521.db2.gz BDNIPLDJNGVKBU-UHFFFAOYSA-N 2 2 343.471 2.644 10 30 EFEELP C[NH+]1CCN(c2ccc(NCc3ccc(C(C)(C)C#N)cc3)[nH+]c2)CC1 ZINC000593945886 479514717 /nfs/dbraw/zinc/51/47/17/479514717.db2.gz SMCMNBFTYDJMQM-UHFFFAOYSA-N 2 2 349.482 2.669 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576704344 479583755 /nfs/dbraw/zinc/58/37/55/479583755.db2.gz LQONJOZPNFBUSZ-VQIMIIECSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576704344 479583763 /nfs/dbraw/zinc/58/37/63/479583763.db2.gz LQONJOZPNFBUSZ-VQIMIIECSA-N 2 2 347.528 2.727 10 30 EFEELP N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597131356 479587585 /nfs/dbraw/zinc/58/75/85/479587585.db2.gz MFGFEXRZOSENTM-IBGZPJMESA-N 2 2 339.483 2.786 10 30 EFEELP N#CC1(c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597131356 479587590 /nfs/dbraw/zinc/58/75/90/479587590.db2.gz MFGFEXRZOSENTM-IBGZPJMESA-N 2 2 339.483 2.786 10 30 EFEELP N#CC1(c2ccccn2)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597133327 479589703 /nfs/dbraw/zinc/58/97/03/479589703.db2.gz XLEBYOFGJNNCSG-UHFFFAOYSA-N 2 2 344.422 2.720 10 30 EFEELP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nn1 ZINC000577395409 479592501 /nfs/dbraw/zinc/59/25/01/479592501.db2.gz OKIBDVCNTRMYHB-SFHVURJKSA-N 2 2 337.471 2.751 10 30 EFEELP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nn1 ZINC000577395409 479592509 /nfs/dbraw/zinc/59/25/09/479592509.db2.gz OKIBDVCNTRMYHB-SFHVURJKSA-N 2 2 337.471 2.751 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)c1 ZINC000597156066 479596609 /nfs/dbraw/zinc/59/66/09/479596609.db2.gz FEDVAXSBWCQOIT-VQTJNVASSA-N 2 2 325.456 2.680 10 30 EFEELP N#CC1(c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)CC1 ZINC000597158703 479598300 /nfs/dbraw/zinc/59/83/00/479598300.db2.gz FBEBCUUYSOJUNC-FQEVSTJZSA-N 2 2 339.483 2.928 10 30 EFEELP N#CC1(c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)CC1 ZINC000597158703 479598304 /nfs/dbraw/zinc/59/83/04/479598304.db2.gz FBEBCUUYSOJUNC-FQEVSTJZSA-N 2 2 339.483 2.928 10 30 EFEELP N#CCC[C@H](C#N)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000578316997 479604429 /nfs/dbraw/zinc/60/44/29/479604429.db2.gz WRKOJMBSFVYNNN-LRVUVFPRSA-N 2 2 328.382 2.825 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598990 480325486 /nfs/dbraw/zinc/32/54/86/480325486.db2.gz ZHILABFCNAKYGV-LZQZEXGQSA-N 2 2 347.528 2.583 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598990 480325491 /nfs/dbraw/zinc/32/54/91/480325491.db2.gz ZHILABFCNAKYGV-LZQZEXGQSA-N 2 2 347.528 2.583 10 30 EFEELP C=CCCn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000653662125 481393824 /nfs/dbraw/zinc/39/38/24/481393824.db2.gz UQWOMVSVOXTSFE-INIZCTEOSA-N 2 2 340.475 2.767 10 30 EFEELP C=CCCn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000653662125 481393817 /nfs/dbraw/zinc/39/38/17/481393817.db2.gz UQWOMVSVOXTSFE-INIZCTEOSA-N 2 2 340.475 2.767 10 30 EFEELP C=CCCC(C)(C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000637624299 481662030 /nfs/dbraw/zinc/66/20/30/481662030.db2.gz WOCMSBGZSXLSEP-UHFFFAOYSA-N 2 2 338.540 2.646 10 30 EFEELP C=CCCC(C)(C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000637624299 481662036 /nfs/dbraw/zinc/66/20/36/481662036.db2.gz WOCMSBGZSXLSEP-UHFFFAOYSA-N 2 2 338.540 2.646 10 30 EFEELP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CCC[NH2+]1 ZINC000662791942 481971205 /nfs/dbraw/zinc/97/12/05/481971205.db2.gz UATWXXCGHVOJDN-OXJNMPFZSA-N 2 2 345.462 2.729 10 30 EFEELP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796890 481974212 /nfs/dbraw/zinc/97/42/12/481974212.db2.gz CZWSAHAABLRCSV-YQVWRLOYSA-N 2 2 349.425 2.525 10 30 EFEELP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796890 481974214 /nfs/dbraw/zinc/97/42/14/481974214.db2.gz CZWSAHAABLRCSV-YQVWRLOYSA-N 2 2 349.425 2.525 10 30 EFEELP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCC[NH2+]1 ZINC000662800705 481975207 /nfs/dbraw/zinc/97/52/07/481975207.db2.gz WTULARSWEFOXDL-MAUKXSAKSA-N 2 2 333.501 2.652 10 30 EFEELP C=CC[C@]1(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCC[NH2+]1 ZINC000662800704 481975623 /nfs/dbraw/zinc/97/56/23/481975623.db2.gz WTULARSWEFOXDL-CRAIPNDOSA-N 2 2 333.501 2.652 10 30 EFEELP C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654666585 481989049 /nfs/dbraw/zinc/98/90/49/481989049.db2.gz RTGRXUQKOUSGIN-GOSISDBHSA-N 2 2 336.524 2.543 10 30 EFEELP C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654666585 481989045 /nfs/dbraw/zinc/98/90/45/481989045.db2.gz RTGRXUQKOUSGIN-GOSISDBHSA-N 2 2 336.524 2.543 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661114726 482332041 /nfs/dbraw/zinc/33/20/41/482332041.db2.gz LARGNEHWZSYGAH-IEBWSBKVSA-N 2 2 345.487 2.648 10 30 EFEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000155105040 524630734 /nfs/dbraw/zinc/63/07/34/524630734.db2.gz BYOWMUZSHWEYRN-JXFKEZNVSA-N 2 2 345.450 2.816 10 30 EFEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000155105040 524630742 /nfs/dbraw/zinc/63/07/42/524630742.db2.gz BYOWMUZSHWEYRN-JXFKEZNVSA-N 2 2 345.450 2.816 10 30 EFEELP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000151318289 525271675 /nfs/dbraw/zinc/27/16/75/525271675.db2.gz QUDMCNVNKGRJPS-VQIMIIECSA-N 2 2 345.450 2.959 10 30 EFEELP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000151318289 525271683 /nfs/dbraw/zinc/27/16/83/525271683.db2.gz QUDMCNVNKGRJPS-VQIMIIECSA-N 2 2 345.450 2.959 10 30 EFEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001691470463 1249191989 /nfs/dbraw/zinc/19/19/89/1249191989.db2.gz JIYOZTPNDSUQRU-CALCHBBNSA-N 2 2 340.471 2.636 10 30 EFEELP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001691231904 1248557101 /nfs/dbraw/zinc/55/71/01/1248557101.db2.gz FLZHOMTXNYVUPS-KSZLIROESA-N 2 2 332.492 2.921 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484098902 1252244956 /nfs/dbraw/zinc/24/49/56/1252244956.db2.gz AOUJIPLDAJIRCU-QGZVFWFLSA-N 2 2 338.883 2.507 10 30 EFEELP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001484367412 1252470359 /nfs/dbraw/zinc/47/03/59/1252470359.db2.gz DFJVDXFBNPJMQJ-PBHICJAKSA-N 2 2 326.444 2.517 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001484462637 1252658864 /nfs/dbraw/zinc/65/88/64/1252658864.db2.gz GKSZKEOJMCOKBV-YESZJQIVSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001484462637 1252658872 /nfs/dbraw/zinc/65/88/72/1252658872.db2.gz GKSZKEOJMCOKBV-YESZJQIVSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001484462636 1252659978 /nfs/dbraw/zinc/65/99/78/1252659978.db2.gz GKSZKEOJMCOKBV-IXDOHACOSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001484462636 1252659990 /nfs/dbraw/zinc/65/99/90/1252659990.db2.gz GKSZKEOJMCOKBV-IXDOHACOSA-N 2 2 341.927 2.925 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001670969350 1259166552 /nfs/dbraw/zinc/16/65/52/1259166552.db2.gz OMVODTCJKAEDBV-MSOLQXFVSA-N 2 2 344.503 2.774 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001670969350 1259166554 /nfs/dbraw/zinc/16/65/54/1259166554.db2.gz OMVODTCJKAEDBV-MSOLQXFVSA-N 2 2 344.503 2.774 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001670977270 1259258470 /nfs/dbraw/zinc/25/84/70/1259258470.db2.gz PAPJEKFHYZSYTD-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001670977270 1259258476 /nfs/dbraw/zinc/25/84/76/1259258476.db2.gz PAPJEKFHYZSYTD-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001670977270 1259258480 /nfs/dbraw/zinc/25/84/80/1259258480.db2.gz PAPJEKFHYZSYTD-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001670977270 1259258485 /nfs/dbraw/zinc/25/84/85/1259258485.db2.gz PAPJEKFHYZSYTD-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001486375821 1262977620 /nfs/dbraw/zinc/97/76/20/1262977620.db2.gz QMWTWIJSTGWAPL-IAGOWNOFSA-N 2 2 332.492 2.659 10 30 EFEELP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001486375821 1262977623 /nfs/dbraw/zinc/97/76/23/1262977623.db2.gz QMWTWIJSTGWAPL-IAGOWNOFSA-N 2 2 332.492 2.659 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001486401901 1263047931 /nfs/dbraw/zinc/04/79/31/1263047931.db2.gz BIGSAPHAWDIRRJ-CVEARBPZSA-N 2 2 332.492 2.532 10 30 EFEELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3csc(C#N)c3)[nH+]c2)C1 ZINC000921916035 1263405740 /nfs/dbraw/zinc/40/57/40/1263405740.db2.gz AGVWZHRQWBDWFE-HNNXBMFYSA-N 2 2 327.457 2.767 10 30 EFEELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3csc(C#N)c3)[nH+]c2)C1 ZINC000921916038 1263405813 /nfs/dbraw/zinc/40/58/13/1263405813.db2.gz AGVWZHRQWBDWFE-OAHLLOKOSA-N 2 2 327.457 2.767 10 30 EFEELP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001691669912 1266509175 /nfs/dbraw/zinc/50/91/75/1266509175.db2.gz DFYBONRDSQYZEC-OALUTQOASA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001691669912 1266509184 /nfs/dbraw/zinc/50/91/84/1266509184.db2.gz DFYBONRDSQYZEC-OALUTQOASA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691669912 1266509196 /nfs/dbraw/zinc/50/91/96/1266509196.db2.gz DFYBONRDSQYZEC-OALUTQOASA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691669912 1266509199 /nfs/dbraw/zinc/50/91/99/1266509199.db2.gz DFYBONRDSQYZEC-OALUTQOASA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691669914 1266509943 /nfs/dbraw/zinc/50/99/43/1266509943.db2.gz DFYBONRDSQYZEC-RTBURBONSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691669914 1266509952 /nfs/dbraw/zinc/50/99/52/1266509952.db2.gz DFYBONRDSQYZEC-RTBURBONSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691669914 1266509958 /nfs/dbraw/zinc/50/99/58/1266509958.db2.gz DFYBONRDSQYZEC-RTBURBONSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691669914 1266509963 /nfs/dbraw/zinc/50/99/63/1266509963.db2.gz DFYBONRDSQYZEC-RTBURBONSA-N 2 2 329.488 2.788 10 30 EFEELP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H](C)c1ccccc1C ZINC000073928367 1267744528 /nfs/dbraw/zinc/74/45/28/1267744528.db2.gz XYUGXHSZKMENRL-MRXNPFEDSA-N 2 2 339.487 2.997 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC001178827556 1288931408 /nfs/dbraw/zinc/93/14/08/1288931408.db2.gz QUSVZASGTFFBKI-UHFFFAOYSA-N 2 2 327.497 2.973 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC001178827556 1288931418 /nfs/dbraw/zinc/93/14/18/1288931418.db2.gz QUSVZASGTFFBKI-UHFFFAOYSA-N 2 2 327.497 2.973 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001277746173 1312826984 /nfs/dbraw/zinc/82/69/84/1312826984.db2.gz BBAIFMBEQYTLBP-NVXWUHKLSA-N 2 2 331.460 2.568 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276310323 1292343812 /nfs/dbraw/zinc/34/38/12/1292343812.db2.gz GIDWFKHESIZFIZ-QGZVFWFLSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276310323 1292343821 /nfs/dbraw/zinc/34/38/21/1292343821.db2.gz GIDWFKHESIZFIZ-QGZVFWFLSA-N 2 2 332.492 2.680 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001202602976 1293821135 /nfs/dbraw/zinc/82/11/35/1293821135.db2.gz PCQHIZAZCSQGAR-UHFFFAOYSA-N 2 2 332.341 2.812 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001202602976 1293821145 /nfs/dbraw/zinc/82/11/45/1293821145.db2.gz PCQHIZAZCSQGAR-UHFFFAOYSA-N 2 2 332.341 2.812 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001691732163 1295315415 /nfs/dbraw/zinc/31/54/15/1295315415.db2.gz JSKCXORIDJHAFQ-WMZOPIPTSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001273776947 1295373623 /nfs/dbraw/zinc/37/36/23/1295373623.db2.gz UGSLSUTXCRIWLV-UHFFFAOYSA-N 2 2 332.492 2.680 10 30 EFEELP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001277883264 1313186835 /nfs/dbraw/zinc/18/68/35/1313186835.db2.gz DWTBYZIBRNYAGN-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001671090377 1297129829 /nfs/dbraw/zinc/12/98/29/1297129829.db2.gz KXQYPKKUINYZNO-LJQANCHMSA-N 2 2 332.492 2.778 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001671090377 1297129835 /nfs/dbraw/zinc/12/98/35/1297129835.db2.gz KXQYPKKUINYZNO-LJQANCHMSA-N 2 2 332.492 2.778 10 30 EFEELP C=CCC[NH+]1CCC(N(CCC)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001490623712 1299053425 /nfs/dbraw/zinc/05/34/25/1299053425.db2.gz SHXXVOCINGAZDP-UHFFFAOYSA-N 2 2 332.492 2.632 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490767748 1299217653 /nfs/dbraw/zinc/21/76/53/1299217653.db2.gz WKMLKJSNBPHZAI-GVDBMIGSSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490767748 1299217661 /nfs/dbraw/zinc/21/76/61/1299217661.db2.gz WKMLKJSNBPHZAI-GVDBMIGSSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490767748 1299217671 /nfs/dbraw/zinc/21/76/71/1299217671.db2.gz WKMLKJSNBPHZAI-GVDBMIGSSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490767748 1299217680 /nfs/dbraw/zinc/21/76/80/1299217680.db2.gz WKMLKJSNBPHZAI-GVDBMIGSSA-N 2 2 330.476 2.650 10 30 EFEELP CCc1cc(CCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)on1 ZINC000853674477 1300224200 /nfs/dbraw/zinc/22/42/00/1300224200.db2.gz ZYYVRPBUJXDSIH-UHFFFAOYSA-N 2 2 330.432 2.568 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001278250873 1313840518 /nfs/dbraw/zinc/84/05/18/1313840518.db2.gz LKEARISVIJIXOO-MSOLQXFVSA-N 2 2 344.503 2.676 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618181 1303713130 /nfs/dbraw/zinc/71/31/30/1303713130.db2.gz WQMGOOKMYHLOHW-XGRCMKMKSA-N 2 2 346.478 2.921 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618181 1303713135 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344.503 2.708 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001278911473 1315905075 /nfs/dbraw/zinc/90/50/75/1315905075.db2.gz AACBQRQAZVKOGI-ROUUACIJSA-N 2 2 346.519 2.969 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001278911473 1315905077 /nfs/dbraw/zinc/90/50/77/1315905077.db2.gz AACBQRQAZVKOGI-ROUUACIJSA-N 2 2 346.519 2.969 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001278978777 1316013708 /nfs/dbraw/zinc/01/37/08/1316013708.db2.gz MQJUUWJNXIZOMT-HZPDHXFCSA-N 2 2 332.492 2.532 10 30 EFEELP C=CC[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001278983972 1316021053 /nfs/dbraw/zinc/02/10/53/1316021053.db2.gz VRFPEYBBGUDYIP-QGZVFWFLSA-N 2 2 326.444 2.792 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001263802195 1316562712 /nfs/dbraw/zinc/56/27/12/1316562712.db2.gz LGOADRHXAZEXPA-IEBWSBKVSA-N 2 2 346.519 2.949 10 30 EFEELP 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C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264196729 1316600211 /nfs/dbraw/zinc/60/02/11/1316600211.db2.gz JXNFVUXDLCPJJD-HOTGVXAUSA-N 2 2 332.492 2.771 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001264575673 1316633752 /nfs/dbraw/zinc/63/37/52/1316633752.db2.gz ODKJKCJOFOFRGJ-IAGOWNOFSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001264585835 1316635430 /nfs/dbraw/zinc/63/54/30/1316635430.db2.gz HITHICBIHPOKAI-LZQZEXGQSA-N 2 2 344.503 2.832 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001264585835 1316635433 /nfs/dbraw/zinc/63/54/33/1316635433.db2.gz HITHICBIHPOKAI-LZQZEXGQSA-N 2 2 344.503 2.832 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001264586951 1316636742 /nfs/dbraw/zinc/63/67/42/1316636742.db2.gz VZQHLFSBUIQZJI-NZSAHSFTSA-N 2 2 344.503 2.845 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001264586951 1316636743 /nfs/dbraw/zinc/63/67/43/1316636743.db2.gz VZQHLFSBUIQZJI-NZSAHSFTSA-N 2 2 344.503 2.845 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264682189 1316655075 /nfs/dbraw/zinc/65/50/75/1316655075.db2.gz RFLUYEDHNXKYFQ-SJORKVTESA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264682189 1316655078 /nfs/dbraw/zinc/65/50/78/1316655078.db2.gz RFLUYEDHNXKYFQ-SJORKVTESA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001265199525 1316750825 /nfs/dbraw/zinc/75/08/25/1316750825.db2.gz YTKROCGSMOMTSU-HNNXBMFYSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390256 1316795273 /nfs/dbraw/zinc/79/52/73/1316795273.db2.gz APYNKLXJVVDRSB-HNNXBMFYSA-N 2 2 326.444 2.923 10 30 EFEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 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C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001403194079 1364421220 /nfs/dbraw/zinc/42/12/20/1364421220.db2.gz PEFPZIAKYXPJMV-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001403194079 1364421223 /nfs/dbraw/zinc/42/12/23/1364421223.db2.gz PEFPZIAKYXPJMV-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001403194079 1364421228 /nfs/dbraw/zinc/42/12/28/1364421228.db2.gz PEFPZIAKYXPJMV-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001403194079 1364421232 /nfs/dbraw/zinc/42/12/32/1364421232.db2.gz PEFPZIAKYXPJMV-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001406609971 1367800645 /nfs/dbraw/zinc/80/06/45/1367800645.db2.gz LIUJKMYVSBKWKJ-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001406609971 1367800646 /nfs/dbraw/zinc/80/06/46/1367800646.db2.gz LIUJKMYVSBKWKJ-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001406609971 1367800650 /nfs/dbraw/zinc/80/06/50/1367800650.db2.gz LIUJKMYVSBKWKJ-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001406609971 1367800651 /nfs/dbraw/zinc/80/06/51/1367800651.db2.gz LIUJKMYVSBKWKJ-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001407553603 1368978755 /nfs/dbraw/zinc/97/87/55/1368978755.db2.gz VDBKHMPUUHHGEV-RISCZKNCSA-N 2 2 332.835 2.613 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001407553599 1368979243 /nfs/dbraw/zinc/97/92/43/1368979243.db2.gz VDBKHMPUUHHGEV-FZMZJTMJSA-N 2 2 332.835 2.613 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437911342 1388210892 /nfs/dbraw/zinc/21/08/92/1388210892.db2.gz OUOGWORVGNMVOC-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437911342 1388210898 /nfs/dbraw/zinc/21/08/98/1388210898.db2.gz OUOGWORVGNMVOC-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001437911342 1388210907 /nfs/dbraw/zinc/21/09/07/1388210907.db2.gz OUOGWORVGNMVOC-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001437911342 1388210913 /nfs/dbraw/zinc/21/09/13/1388210913.db2.gz OUOGWORVGNMVOC-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001418126406 1373643993 /nfs/dbraw/zinc/64/39/93/1373643993.db2.gz NPTYWSIXANPAEO-HNNXBMFYSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001418126406 1373643999 /nfs/dbraw/zinc/64/39/99/1373643999.db2.gz NPTYWSIXANPAEO-HNNXBMFYSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001421952381 1379399965 /nfs/dbraw/zinc/39/99/65/1379399965.db2.gz PLMFSMUYWFKQFM-UHFFFAOYSA-N 2 2 338.883 2.801 10 30 EFEELP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001422483754 1380180485 /nfs/dbraw/zinc/18/04/85/1380180485.db2.gz VWWHLMXBWZSCAU-MRXNPFEDSA-N 2 2 345.491 2.580 10 30 EFEELP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001422483754 1380180486 /nfs/dbraw/zinc/18/04/86/1380180486.db2.gz VWWHLMXBWZSCAU-MRXNPFEDSA-N 2 2 345.491 2.580 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001423558479 1382065722 /nfs/dbraw/zinc/06/57/22/1382065722.db2.gz SOIJTUCGHMQCEO-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001423558479 1382065728 /nfs/dbraw/zinc/06/57/28/1382065728.db2.gz SOIJTUCGHMQCEO-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001423558479 1382065732 /nfs/dbraw/zinc/06/57/32/1382065732.db2.gz SOIJTUCGHMQCEO-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001423558479 1382065737 /nfs/dbraw/zinc/06/57/37/1382065737.db2.gz SOIJTUCGHMQCEO-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001423558485 1382065819 /nfs/dbraw/zinc/06/58/19/1382065819.db2.gz SOIJTUCGHMQCEO-IRXDYDNUSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001423558485 1382065824 /nfs/dbraw/zinc/06/58/24/1382065824.db2.gz SOIJTUCGHMQCEO-IRXDYDNUSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001423558485 1382065830 /nfs/dbraw/zinc/06/58/30/1382065830.db2.gz SOIJTUCGHMQCEO-IRXDYDNUSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001423558485 1382065834 /nfs/dbraw/zinc/06/58/34/1382065834.db2.gz SOIJTUCGHMQCEO-IRXDYDNUSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001506931016 1406458184 /nfs/dbraw/zinc/45/81/84/1406458184.db2.gz YPSSYCRWJCURBA-ZDUSSCGKSA-N 2 2 326.872 2.554 10 30 EFEELP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001447942365 1391842681 /nfs/dbraw/zinc/84/26/81/1391842681.db2.gz OHXZQHZYNIRIER-XEBKBJJBSA-N 2 2 338.883 2.700 10 30 EFEELP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001447942365 1391842689 /nfs/dbraw/zinc/84/26/89/1391842689.db2.gz OHXZQHZYNIRIER-XEBKBJJBSA-N 2 2 338.883 2.700 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H]1C ZINC001507290740 1406855346 /nfs/dbraw/zinc/85/53/46/1406855346.db2.gz UTLTXQJJYQNIKT-SJLPKXTDSA-N 2 2 340.471 2.730 10 30 EFEELP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716905 1397325434 /nfs/dbraw/zinc/32/54/34/1397325434.db2.gz NETYVSYVXYXQCB-ZWKOTPCHSA-N 2 2 346.519 2.524 10 30 EFEELP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716905 1397325439 /nfs/dbraw/zinc/32/54/39/1397325439.db2.gz NETYVSYVXYXQCB-ZWKOTPCHSA-N 2 2 346.519 2.524 10 30 EFEELP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898265 1397348558 /nfs/dbraw/zinc/34/85/58/1397348558.db2.gz VZRXXIKEGIJGJD-MRXNPFEDSA-N 2 2 345.491 2.580 10 30 EFEELP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898265 1397348561 /nfs/dbraw/zinc/34/85/61/1397348561.db2.gz VZRXXIKEGIJGJD-MRXNPFEDSA-N 2 2 345.491 2.580 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479518937 1397746488 /nfs/dbraw/zinc/74/64/88/1397746488.db2.gz FNJHGWPMJQRABC-XJKSGUPXSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479518936 1397746463 /nfs/dbraw/zinc/74/64/63/1397746463.db2.gz FNJHGWPMJQRABC-CZUORRHYSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479518936 1397746466 /nfs/dbraw/zinc/74/64/66/1397746466.db2.gz FNJHGWPMJQRABC-CZUORRHYSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479518937 1397746486 /nfs/dbraw/zinc/74/64/86/1397746486.db2.gz FNJHGWPMJQRABC-XJKSGUPXSA-N 2 2 338.883 2.702 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001479696240 1397767771 /nfs/dbraw/zinc/76/77/71/1397767771.db2.gz VIPJLYZKCBXJSU-GOSISDBHSA-N 2 2 332.492 2.990 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001480189547 1398158654 /nfs/dbraw/zinc/15/86/54/1398158654.db2.gz ORNUNXUSMXXJRH-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001480189547 1398158657 /nfs/dbraw/zinc/15/86/57/1398158657.db2.gz ORNUNXUSMXXJRH-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001493837813 1398913945 /nfs/dbraw/zinc/91/39/45/1398913945.db2.gz YTARCSJLRWPMBH-CGTJXYLNSA-N 2 2 344.503 2.707 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493966367 1399017942 /nfs/dbraw/zinc/01/79/42/1399017942.db2.gz CGAAATZZPLYOIX-KZNAEPCWSA-N 2 2 344.503 2.803 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493966367 1399017945 /nfs/dbraw/zinc/01/79/45/1399017945.db2.gz CGAAATZZPLYOIX-KZNAEPCWSA-N 2 2 344.503 2.803 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001507404672 1407016058 /nfs/dbraw/zinc/01/60/58/1407016058.db2.gz WHGXKDDZFQRGNY-LSDHHAIUSA-N 2 2 338.883 2.554 10 30 EFEELP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001495458704 1399998243 /nfs/dbraw/zinc/99/82/43/1399998243.db2.gz VKWVJMZRQLWJHR-QAQDUYKDSA-N 2 2 332.492 2.910 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498490439 1402142407 /nfs/dbraw/zinc/14/24/07/1402142407.db2.gz YJEUEGIMVJAPJC-DLBZAZTESA-N 2 2 332.492 2.767 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001499480693 1402634909 /nfs/dbraw/zinc/63/49/09/1402634909.db2.gz INGBBUBRRWUXFE-IEBWSBKVSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001499480693 1402634910 /nfs/dbraw/zinc/63/49/10/1402634910.db2.gz INGBBUBRRWUXFE-IEBWSBKVSA-N 2 2 344.503 2.632 10 30 EFEELP CCCCCCC[NH+]1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001499671780 1402742062 /nfs/dbraw/zinc/74/20/62/1402742062.db2.gz CUMUNDJYPGPYTH-UHFFFAOYSA-N 2 2 346.519 2.875 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001508070369 1407280716 /nfs/dbraw/zinc/28/07/16/1407280716.db2.gz WQOBHUSXPNZHKM-LSDHHAIUSA-N 2 2 332.492 2.832 10 30 EFEELP C=CC(C)(C)C(=O)NCC1([NH2+]CC)CC[NH+](Cc2ccccc2)CC1 ZINC001508088066 1407290589 /nfs/dbraw/zinc/29/05/89/1407290589.db2.gz HFDKLCLPHWMIAS-UHFFFAOYSA-N 2 2 343.515 2.959 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001500162875 1402963094 /nfs/dbraw/zinc/96/30/94/1402963094.db2.gz SGZHUHPHHNPHSD-FQEVSTJZSA-N 2 2 344.503 2.944 10 30 EFEELP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001500162875 1402963098 /nfs/dbraw/zinc/96/30/98/1402963098.db2.gz SGZHUHPHHNPHSD-FQEVSTJZSA-N 2 2 344.503 2.944 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001500162876 1402963161 /nfs/dbraw/zinc/96/31/61/1402963161.db2.gz SGZHUHPHHNPHSD-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001500162876 1402963163 /nfs/dbraw/zinc/96/31/63/1402963163.db2.gz SGZHUHPHHNPHSD-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001500221743 1402988935 /nfs/dbraw/zinc/98/89/35/1402988935.db2.gz YEXUWHVCMSRYAD-PBHICJAKSA-N 2 2 338.883 2.730 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001500221743 1402988942 /nfs/dbraw/zinc/98/89/42/1402988942.db2.gz YEXUWHVCMSRYAD-PBHICJAKSA-N 2 2 338.883 2.730 10 30 EFEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001500362228 1403074750 /nfs/dbraw/zinc/07/47/50/1403074750.db2.gz MDPIOGLUYSRUIM-IBGZPJMESA-N 2 2 326.444 2.742 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001501015939 1403405685 /nfs/dbraw/zinc/40/56/85/1403405685.db2.gz PRPROGPLSVTTPB-LJQANCHMSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501054503 1403422918 /nfs/dbraw/zinc/42/29/18/1403422918.db2.gz SOPSMSOTNWWVMF-GJZGRUSLSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001501130518 1403452290 /nfs/dbraw/zinc/45/22/90/1403452290.db2.gz XTJHHQUGGRKPOA-AEFFLSMTSA-N 2 2 338.455 2.746 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001501130519 1403452342 /nfs/dbraw/zinc/45/23/42/1403452342.db2.gz XTJHHQUGGRKPOA-FUHWJXTLSA-N 2 2 338.455 2.746 10 30 EFEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001501676715 1403706356 /nfs/dbraw/zinc/70/63/56/1403706356.db2.gz OJNUGRBHJDRVLO-BMGDILEWSA-N 2 2 336.439 2.504 10 30 EFEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001501676715 1403706363 /nfs/dbraw/zinc/70/63/63/1403706363.db2.gz OJNUGRBHJDRVLO-BMGDILEWSA-N 2 2 336.439 2.504 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001501681044 1403712818 /nfs/dbraw/zinc/71/28/18/1403712818.db2.gz AXGAGBXZOBMFMV-HNNXBMFYSA-N 2 2 326.444 2.885 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001501682039 1403715621 /nfs/dbraw/zinc/71/56/21/1403715621.db2.gz WFQVSVDHBANAIB-MRXNPFEDSA-N 2 2 340.471 2.896 10 30 EFEELP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)c(F)c1 ZINC001508242984 1407374107 /nfs/dbraw/zinc/37/41/07/1407374107.db2.gz QYEFEMWRUOOBHQ-UHFFFAOYSA-N 2 2 344.434 2.772 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001502731584 1404315800 /nfs/dbraw/zinc/31/58/00/1404315800.db2.gz QQBWIFZSXHXIQB-LPHOPBHVSA-N 2 2 338.455 2.889 10 30 EFEELP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001503677794 1404495532 /nfs/dbraw/zinc/49/55/32/1404495532.db2.gz KFECFEXXZMBJKF-LJQANCHMSA-N 2 2 338.455 2.634 10 30 EFEELP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001503677794 1404495535 /nfs/dbraw/zinc/49/55/35/1404495535.db2.gz KFECFEXXZMBJKF-LJQANCHMSA-N 2 2 338.455 2.634 10 30 EFEELP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001503677794 1404495539 /nfs/dbraw/zinc/49/55/39/1404495539.db2.gz KFECFEXXZMBJKF-LJQANCHMSA-N 2 2 338.455 2.634 10 30 EFEELP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001503677794 1404495546 /nfs/dbraw/zinc/49/55/46/1404495546.db2.gz KFECFEXXZMBJKF-LJQANCHMSA-N 2 2 338.455 2.634 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001505783200 1405063136 /nfs/dbraw/zinc/06/31/36/1405063136.db2.gz WXLJGGGMWMHTQZ-AOCRQIFASA-N 2 2 344.503 2.771 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001505922061 1405227667 /nfs/dbraw/zinc/22/76/67/1405227667.db2.gz GAABKJXIKRMBIW-UONOGXRCSA-N 2 2 326.872 2.586 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001505922061 1405227671 /nfs/dbraw/zinc/22/76/71/1405227671.db2.gz GAABKJXIKRMBIW-UONOGXRCSA-N 2 2 326.872 2.586 10 30 EFEELP C=C(C)C[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001506508754 1405879069 /nfs/dbraw/zinc/87/90/69/1405879069.db2.gz CTHDTCKUHPASSH-UHFFFAOYSA-N 2 2 331.460 2.618 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001565935660 1415175503 /nfs/dbraw/zinc/17/55/03/1415175503.db2.gz GGDKUZFZPGAOCN-SJLPKXTDSA-N 2 2 345.487 2.816 10 30 EFEELP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001565935745 1415176886 /nfs/dbraw/zinc/17/68/86/1415176886.db2.gz HBZILZAYHNVPQM-RDTXWAMCSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001565937890 1415456454 /nfs/dbraw/zinc/45/64/54/1415456454.db2.gz DNCCXJXLRIJHHS-DLBZAZTESA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001565941747 1415459916 /nfs/dbraw/zinc/45/99/16/1415459916.db2.gz PTUVGOKPZICJCB-AEFFLSMTSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001565994739 1415474985 /nfs/dbraw/zinc/47/49/85/1415474985.db2.gz JWRHWNZGXBVUAO-JLSDUUJJSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001565994739 1415474989 /nfs/dbraw/zinc/47/49/89/1415474989.db2.gz JWRHWNZGXBVUAO-JLSDUUJJSA-N 2 2 330.476 2.524 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001566094732 1415512652 /nfs/dbraw/zinc/51/26/52/1415512652.db2.gz UKYYEAVRKLBHJE-SQNIBIBYSA-N 2 2 346.519 2.995 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001566094732 1415512654 /nfs/dbraw/zinc/51/26/54/1415512654.db2.gz UKYYEAVRKLBHJE-SQNIBIBYSA-N 2 2 346.519 2.995 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001566537097 1415623736 /nfs/dbraw/zinc/62/37/36/1415623736.db2.gz HCKTYLJDNKQRRM-MSOLQXFVSA-N 2 2 332.492 2.989 10 30 EFEELP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001566697740 1415737619 /nfs/dbraw/zinc/73/76/19/1415737619.db2.gz LNHYWJOYEQYBNS-KRWDZBQOSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001566746556 1415758920 /nfs/dbraw/zinc/75/89/20/1415758920.db2.gz KWSQGRKUWCMIOS-QZTJIDSGSA-N 2 2 346.519 2.878 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001566746556 1415758922 /nfs/dbraw/zinc/75/89/22/1415758922.db2.gz KWSQGRKUWCMIOS-QZTJIDSGSA-N 2 2 346.519 2.878 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001566900114 1415832501 /nfs/dbraw/zinc/83/25/01/1415832501.db2.gz MSLUXVZQVCPXOO-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001566967484 1415881100 /nfs/dbraw/zinc/88/11/00/1415881100.db2.gz OMECAPLANVVHNQ-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001566967484 1415881103 /nfs/dbraw/zinc/88/11/03/1415881103.db2.gz OMECAPLANVVHNQ-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001567039900 1415910803 /nfs/dbraw/zinc/91/08/03/1415910803.db2.gz WLTKVEHUUPHFSP-HZPDHXFCSA-N 2 2 326.444 2.935 10 30 EFEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001567192687 1415985172 /nfs/dbraw/zinc/98/51/72/1415985172.db2.gz FOUSLPOCBRPJSL-KRWDZBQOSA-N 2 2 332.492 2.816 10 30 EFEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001567192687 1415985174 /nfs/dbraw/zinc/98/51/74/1415985174.db2.gz FOUSLPOCBRPJSL-KRWDZBQOSA-N 2 2 332.492 2.816 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001567370032 1416098887 /nfs/dbraw/zinc/09/88/87/1416098887.db2.gz KDJWJJSTNJDSHK-MSOLQXFVSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001567370032 1416098893 /nfs/dbraw/zinc/09/88/93/1416098893.db2.gz KDJWJJSTNJDSHK-MSOLQXFVSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001567406675 1416121292 /nfs/dbraw/zinc/12/12/92/1416121292.db2.gz UMCHBEFBSKQPIR-QGZVFWFLSA-N 2 2 338.455 2.890 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001567406675 1416121295 /nfs/dbraw/zinc/12/12/95/1416121295.db2.gz UMCHBEFBSKQPIR-QGZVFWFLSA-N 2 2 338.455 2.890 10 30 EFEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001567751083 1416272254 /nfs/dbraw/zinc/27/22/54/1416272254.db2.gz ADJWGYBGPZLYAE-QGZVFWFLSA-N 2 2 332.492 2.971 10 30 EFEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001567751083 1416272257 /nfs/dbraw/zinc/27/22/57/1416272257.db2.gz ADJWGYBGPZLYAE-QGZVFWFLSA-N 2 2 332.492 2.971 10 30 EFEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001567751082 1416272616 /nfs/dbraw/zinc/27/26/16/1416272616.db2.gz ADJWGYBGPZLYAE-KRWDZBQOSA-N 2 2 332.492 2.971 10 30 EFEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001567751082 1416272618 /nfs/dbraw/zinc/27/26/18/1416272618.db2.gz ADJWGYBGPZLYAE-KRWDZBQOSA-N 2 2 332.492 2.971 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567944951 1416339778 /nfs/dbraw/zinc/33/97/78/1416339778.db2.gz FCWZQAONECNJLE-KRWDZBQOSA-N 2 2 341.927 2.928 10 30 EFEELP 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C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001676763764 1106575847 /nfs/dbraw/zinc/57/58/47/1106575847.db2.gz XOYUHNQKFAFEHR-IRXDYDNUSA-N 2 2 340.471 2.730 10 30 EFEELP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001676810916 1106590117 /nfs/dbraw/zinc/59/01/17/1106590117.db2.gz XGAHZAFDQTUNMI-QWFCFKBJSA-N 2 2 342.487 2.607 10 30 EFEELP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001676810916 1106590120 /nfs/dbraw/zinc/59/01/20/1106590120.db2.gz XGAHZAFDQTUNMI-QWFCFKBJSA-N 2 2 342.487 2.607 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001677165076 1106670649 /nfs/dbraw/zinc/67/06/49/1106670649.db2.gz RXJYTPSXYOXWOS-SJLPKXTDSA-N 2 2 347.503 2.726 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001677165076 1106670651 /nfs/dbraw/zinc/67/06/51/1106670651.db2.gz RXJYTPSXYOXWOS-SJLPKXTDSA-N 2 2 347.503 2.726 10 30 EFEELP 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C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001484553509 1113006514 /nfs/dbraw/zinc/00/65/14/1113006514.db2.gz GGNJSVPRGMJBJB-CRAIPNDOSA-N 2 2 349.906 2.827 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001484553509 1113006517 /nfs/dbraw/zinc/00/65/17/1113006517.db2.gz GGNJSVPRGMJBJB-CRAIPNDOSA-N 2 2 349.906 2.827 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484553509 1113006521 /nfs/dbraw/zinc/00/65/21/1113006521.db2.gz GGNJSVPRGMJBJB-CRAIPNDOSA-N 2 2 349.906 2.827 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484553509 1113006527 /nfs/dbraw/zinc/00/65/27/1113006527.db2.gz GGNJSVPRGMJBJB-CRAIPNDOSA-N 2 2 349.906 2.827 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001484557159 1113009098 /nfs/dbraw/zinc/00/90/98/1113009098.db2.gz GDQKVGBHBDVDIW-UHFFFAOYSA-N 2 2 347.890 2.583 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001484557159 1113009103 /nfs/dbraw/zinc/00/91/03/1113009103.db2.gz GDQKVGBHBDVDIW-UHFFFAOYSA-N 2 2 347.890 2.583 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001484559698 1113013894 /nfs/dbraw/zinc/01/38/94/1113013894.db2.gz UTJHRCADMVPYBI-QAPCUYQASA-N 2 2 338.455 2.599 10 30 EFEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001485452483 1118364410 /nfs/dbraw/zinc/36/44/10/1118364410.db2.gz FLMJDMDGXDFIMP-QGZVFWFLSA-N 2 2 344.503 2.820 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC(C)C ZINC001485478973 1118406041 /nfs/dbraw/zinc/40/60/41/1118406041.db2.gz DMMRKEQJCDQNFT-PMACEKPBSA-N 2 2 347.547 2.881 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC(C)C ZINC001485478973 1118406043 /nfs/dbraw/zinc/40/60/43/1118406043.db2.gz DMMRKEQJCDQNFT-PMACEKPBSA-N 2 2 347.547 2.881 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC(C)C ZINC001485478973 1118406046 /nfs/dbraw/zinc/40/60/46/1118406046.db2.gz 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JCUWLJNRTIFRCC-ZWKOTPCHSA-N 2 2 346.519 2.525 10 30 EFEELP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000527298489 478420488 /nfs/dbraw/zinc/42/04/88/478420488.db2.gz JCUWLJNRTIFRCC-ZWKOTPCHSA-N 2 2 346.519 2.525 10 30 EFEELP N#Cc1ccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000594518178 478422761 /nfs/dbraw/zinc/42/27/61/478422761.db2.gz MWADWBHQHCNQDV-LJQANCHMSA-N 2 2 325.456 2.780 10 30 EFEELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC2(C#N)CC2)c(C)c1 ZINC000600728399 478490639 /nfs/dbraw/zinc/49/06/39/478490639.db2.gz PFFXNVWBZWKIHR-PKOBYXMFSA-N 2 2 338.455 2.886 10 30 EFEELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC2(C#N)CC2)c(C)c1 ZINC000600728397 478490980 /nfs/dbraw/zinc/49/09/80/478490980.db2.gz PFFXNVWBZWKIHR-MJGOQNOKSA-N 2 2 338.455 2.886 10 30 EFEELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594995100 478622847 /nfs/dbraw/zinc/62/28/47/478622847.db2.gz OIFBMHWAXOUUQN-KBWCOIMZSA-N 2 2 340.515 2.865 10 30 EFEELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594995100 478622855 /nfs/dbraw/zinc/62/28/55/478622855.db2.gz OIFBMHWAXOUUQN-KBWCOIMZSA-N 2 2 340.515 2.865 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000598719879 478989948 /nfs/dbraw/zinc/98/99/48/478989948.db2.gz KMMAFDYRUFBVHK-OALUTQOASA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000598719879 478989956 /nfs/dbraw/zinc/98/99/56/478989956.db2.gz KMMAFDYRUFBVHK-OALUTQOASA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000598723370 478991187 /nfs/dbraw/zinc/99/11/87/478991187.db2.gz HFLPXGGEEBCPGH-ICSRJNTNSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000598723370 478991192 /nfs/dbraw/zinc/99/11/92/478991192.db2.gz HFLPXGGEEBCPGH-ICSRJNTNSA-N 2 2 329.488 2.931 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529663333 479238443 /nfs/dbraw/zinc/23/84/43/479238443.db2.gz JSJKSNMMHAQWGH-UHFFFAOYSA-N 2 2 330.472 2.938 10 30 EFEELP CC[N@H+](C[C@H](O)CC1(C#N)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599302820 479244443 /nfs/dbraw/zinc/24/44/43/479244443.db2.gz KQNGGRIJHVZFGV-GOSISDBHSA-N 2 2 342.487 2.675 10 30 EFEELP CC[N@@H+](C[C@H](O)CC1(C#N)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599302820 479244450 /nfs/dbraw/zinc/24/44/50/479244450.db2.gz KQNGGRIJHVZFGV-GOSISDBHSA-N 2 2 342.487 2.675 10 30 EFEELP CCC[C@@H](C)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000574696330 479332537 /nfs/dbraw/zinc/33/25/37/479332537.db2.gz UPIKIPISLSCMFE-UZLBHIALSA-N 2 2 329.488 2.909 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599663569 479378535 /nfs/dbraw/zinc/37/85/35/479378535.db2.gz IHVYXUFRKLJKKC-UHFFFAOYSA-N 2 2 327.472 2.944 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515585 479402619 /nfs/dbraw/zinc/40/26/19/479402619.db2.gz FTEANOOSRADYFH-OALUTQOASA-N 2 2 349.438 2.587 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515585 479402624 /nfs/dbraw/zinc/40/26/24/479402624.db2.gz FTEANOOSRADYFH-OALUTQOASA-N 2 2 349.438 2.587 10 30 EFEELP N#C[C@@H]1CCC[C@@H]([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000618572567 479498112 /nfs/dbraw/zinc/49/81/12/479498112.db2.gz ADCCJZDKTXJKRS-AQNXPRMDSA-N 2 2 327.472 2.685 10 30 EFEELP N#C[C@@H]1CCC[C@@H]([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000618572567 479498115 /nfs/dbraw/zinc/49/81/15/479498115.db2.gz ADCCJZDKTXJKRS-AQNXPRMDSA-N 2 2 327.472 2.685 10 30 EFEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000662082610 481539369 /nfs/dbraw/zinc/53/93/69/481539369.db2.gz WPDQEORBIQCDSA-CALCHBBNSA-N 2 2 345.512 2.575 10 30 EFEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000662082610 481539378 /nfs/dbraw/zinc/53/93/78/481539378.db2.gz WPDQEORBIQCDSA-CALCHBBNSA-N 2 2 345.512 2.575 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000667949617 481897075 /nfs/dbraw/zinc/89/70/75/481897075.db2.gz KRCBNPITHFMNSP-UHFFFAOYSA-N 2 2 327.432 2.805 10 30 EFEELP C=CC[C@@]1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC[NH2+]1 ZINC000662663931 481923132 /nfs/dbraw/zinc/92/31/32/481923132.db2.gz QCTVHZBVWGLJSC-KRWDZBQOSA-N 2 2 334.489 2.766 10 30 EFEELP C=CC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]1 ZINC000662730058 481951667 /nfs/dbraw/zinc/95/16/67/481951667.db2.gz ZWZZHIGTGANYGQ-FQEVSTJZSA-N 2 2 338.455 2.588 10 30 EFEELP C=CC[C@]1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CCC[NH2+]1 ZINC000662791945 481971331 /nfs/dbraw/zinc/97/13/31/481971331.db2.gz UATWXXCGHVOJDN-OXQOHEQNSA-N 2 2 345.462 2.729 10 30 EFEELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000180196537 524786724 /nfs/dbraw/zinc/78/67/24/524786724.db2.gz JJIOSGQPMVQCRI-KXBFYZLASA-N 2 2 337.471 2.873 10 30 EFEELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000180196537 524786733 /nfs/dbraw/zinc/78/67/33/524786733.db2.gz JJIOSGQPMVQCRI-KXBFYZLASA-N 2 2 337.471 2.873 10 30 EFEELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196537 524786742 /nfs/dbraw/zinc/78/67/42/524786742.db2.gz JJIOSGQPMVQCRI-KXBFYZLASA-N 2 2 337.471 2.873 10 30 EFEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196537 524786754 /nfs/dbraw/zinc/78/67/54/524786754.db2.gz JJIOSGQPMVQCRI-KXBFYZLASA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000151318155 525442521 /nfs/dbraw/zinc/44/25/21/525442521.db2.gz QUDMCNVNKGRJPS-APWZRJJASA-N 2 2 345.450 2.959 10 30 EFEELP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000151318155 525442531 /nfs/dbraw/zinc/44/25/31/525442531.db2.gz QUDMCNVNKGRJPS-APWZRJJASA-N 2 2 345.450 2.959 10 30 EFEELP N#Cc1ccc(F)c(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119658259 526638831 /nfs/dbraw/zinc/63/88/31/526638831.db2.gz AAOANXGAHXSNKN-UHFFFAOYSA-N 2 2 345.341 2.833 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000772983981 581385469 /nfs/dbraw/zinc/38/54/69/581385469.db2.gz BPDXLHLNQCCMNS-OLMNPRSZSA-N 2 2 343.471 2.948 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000772983981 581385471 /nfs/dbraw/zinc/38/54/71/581385471.db2.gz BPDXLHLNQCCMNS-OLMNPRSZSA-N 2 2 343.471 2.948 10 30 EFEELP C=CC[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)c1ccc(C(C)C)cc1 ZINC001691773667 1248901128 /nfs/dbraw/zinc/90/11/28/1248901128.db2.gz ZWBRWBWQVKTGHC-IBGZPJMESA-N 2 2 340.471 2.719 10 30 EFEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691500973 1249847189 /nfs/dbraw/zinc/84/71/89/1249847189.db2.gz AMFRPUWFYDERFC-JCNLHEQBSA-N 2 2 326.444 2.707 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001691302742 1248630465 /nfs/dbraw/zinc/63/04/65/1248630465.db2.gz ZPBFENYOUGXZBO-MSOLQXFVSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001484350311 1252439308 /nfs/dbraw/zinc/43/93/08/1252439308.db2.gz HNWWDTALJVGIIM-SJORKVTESA-N 2 2 340.471 2.588 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001484391152 1252499790 /nfs/dbraw/zinc/49/97/90/1252499790.db2.gz IHEAQOJTULJBBF-ZJPYXAASSA-N 2 2 330.476 2.597 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001484391152 1252499805 /nfs/dbraw/zinc/49/98/05/1252499805.db2.gz IHEAQOJTULJBBF-ZJPYXAASSA-N 2 2 330.476 2.597 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484395024 1252516535 /nfs/dbraw/zinc/51/65/35/1252516535.db2.gz QZDQKGQHPDLICL-QAQDUYKDSA-N 2 2 345.487 2.721 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464960 1252669454 /nfs/dbraw/zinc/66/94/54/1252669454.db2.gz LRCMURGMTNOBDH-MOPGFXCFSA-N 2 2 344.503 2.774 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464960 1252669464 /nfs/dbraw/zinc/66/94/64/1252669464.db2.gz LRCMURGMTNOBDH-MOPGFXCFSA-N 2 2 344.503 2.774 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001484772248 1252944772 /nfs/dbraw/zinc/94/47/72/1252944772.db2.gz PHRPHEJMZKIVCC-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001484772248 1252944783 /nfs/dbraw/zinc/94/47/83/1252944783.db2.gz PHRPHEJMZKIVCC-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691649000 1256165242 /nfs/dbraw/zinc/16/52/42/1256165242.db2.gz FWRABTADPJWSKI-IBGZPJMESA-N 2 2 338.455 2.985 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691649000 1256165246 /nfs/dbraw/zinc/16/52/46/1256165246.db2.gz FWRABTADPJWSKI-IBGZPJMESA-N 2 2 338.455 2.985 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001486206207 1262758526 /nfs/dbraw/zinc/75/85/26/1262758526.db2.gz FTYAXJNRROUBHI-WMZOPIPTSA-N 2 2 338.455 2.937 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001486215467 1262815566 /nfs/dbraw/zinc/81/55/66/1262815566.db2.gz NNCWHTINNWKFSP-IRXDYDNUSA-N 2 2 340.471 2.636 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001486215462 1262815604 /nfs/dbraw/zinc/81/56/04/1262815604.db2.gz NNCWHTINNWKFSP-DLBZAZTESA-N 2 2 340.471 2.636 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001486400749 1263044360 /nfs/dbraw/zinc/04/43/60/1263044360.db2.gz DXMGPXWDTYPFHT-IRXDYDNUSA-N 2 2 332.492 2.614 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001486446910 1263133527 /nfs/dbraw/zinc/13/35/27/1263133527.db2.gz GJHYRPUGHUIQAE-WMZOPIPTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001691669911 1266509847 /nfs/dbraw/zinc/50/98/47/1266509847.db2.gz DFYBONRDSQYZEC-MOPGFXCFSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001691669911 1266509852 /nfs/dbraw/zinc/50/98/52/1266509852.db2.gz DFYBONRDSQYZEC-MOPGFXCFSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691669911 1266509858 /nfs/dbraw/zinc/50/98/58/1266509858.db2.gz DFYBONRDSQYZEC-MOPGFXCFSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001691669911 1266509861 /nfs/dbraw/zinc/50/98/61/1266509861.db2.gz DFYBONRDSQYZEC-MOPGFXCFSA-N 2 2 329.488 2.788 10 30 EFEELP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H](C)c1ccccc1C ZINC000073928370 1267744020 /nfs/dbraw/zinc/74/40/20/1267744020.db2.gz XYUGXHSZKMENRL-INIZCTEOSA-N 2 2 339.487 2.997 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015585 1277217114 /nfs/dbraw/zinc/21/71/14/1277217114.db2.gz DZDNANCNPYXYIS-GJZGRUSLSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015585 1277217117 /nfs/dbraw/zinc/21/71/17/1277217117.db2.gz DZDNANCNPYXYIS-GJZGRUSLSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015615 1277223203 /nfs/dbraw/zinc/22/32/03/1277223203.db2.gz DZDNANCNPYXYIS-LSDHHAIUSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015615 1277223206 /nfs/dbraw/zinc/22/32/06/1277223206.db2.gz DZDNANCNPYXYIS-LSDHHAIUSA-N 2 2 329.916 2.686 10 30 EFEELP C#CC[C@H](COC)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001179290911 1289093141 /nfs/dbraw/zinc/09/31/41/1289093141.db2.gz FGGWMPFBJXKQAC-MRXNPFEDSA-N 2 2 347.846 2.743 10 30 EFEELP C#C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000824195316 1289566292 /nfs/dbraw/zinc/56/62/92/1289566292.db2.gz AUIVLDQQWXMIKW-YYWHXJBOSA-N 2 2 326.484 2.852 10 30 EFEELP C=CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000873227588 1289660885 /nfs/dbraw/zinc/66/08/85/1289660885.db2.gz LTIAWYMEORNOFI-KBPBESRZSA-N 2 2 344.377 2.829 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000873227588 1289660898 /nfs/dbraw/zinc/66/08/98/1289660898.db2.gz LTIAWYMEORNOFI-KBPBESRZSA-N 2 2 344.377 2.829 10 30 EFEELP C=CC(C)(C)CCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000876320666 1290893168 /nfs/dbraw/zinc/89/31/68/1290893168.db2.gz BKUWKMLIBOSBFS-UHFFFAOYSA-N 2 2 338.540 2.646 10 30 EFEELP C=CC(C)(C)CCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000876320666 1290893182 /nfs/dbraw/zinc/89/31/82/1290893182.db2.gz BKUWKMLIBOSBFS-UHFFFAOYSA-N 2 2 338.540 2.646 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000876709489 1290986188 /nfs/dbraw/zinc/98/61/88/1290986188.db2.gz SJJXBLOESMFWAT-GWCFXTLKSA-N 2 2 342.896 2.783 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000876709489 1290986193 /nfs/dbraw/zinc/98/61/93/1290986193.db2.gz SJJXBLOESMFWAT-GWCFXTLKSA-N 2 2 342.896 2.783 10 30 EFEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000876709490 1290986883 /nfs/dbraw/zinc/98/68/83/1290986883.db2.gz SJJXBLOESMFWAT-GXFFZTMASA-N 2 2 342.896 2.783 10 30 EFEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000876709490 1290986893 /nfs/dbraw/zinc/98/68/93/1290986893.db2.gz SJJXBLOESMFWAT-GXFFZTMASA-N 2 2 342.896 2.783 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001277746178 1312826976 /nfs/dbraw/zinc/82/69/76/1312826976.db2.gz BBAIFMBEQYTLBP-RDJZCZTQSA-N 2 2 331.460 2.568 10 30 EFEELP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001276312902 1292722931 /nfs/dbraw/zinc/72/29/31/1292722931.db2.gz VYNCBSGOAVCWDB-RTBURBONSA-N 2 2 344.503 2.854 10 30 EFEELP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001276312902 1292722941 /nfs/dbraw/zinc/72/29/41/1292722941.db2.gz VYNCBSGOAVCWDB-RTBURBONSA-N 2 2 344.503 2.854 10 30 EFEELP 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CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1O ZINC000925555182 1296852686 /nfs/dbraw/zinc/85/26/86/1296852686.db2.gz FODCXIASLYQEMH-FHWLQOOXSA-N 2 2 343.471 2.682 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001671090375 1297129030 /nfs/dbraw/zinc/12/90/30/1297129030.db2.gz KXQYPKKUINYZNO-IBGZPJMESA-N 2 2 332.492 2.778 10 30 EFEELP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001671090375 1297129041 /nfs/dbraw/zinc/12/90/41/1297129041.db2.gz KXQYPKKUINYZNO-IBGZPJMESA-N 2 2 332.492 2.778 10 30 EFEELP C=CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C(=O)OCC ZINC001205849145 1313366404 /nfs/dbraw/zinc/36/64/04/1313366404.db2.gz MPIYXTRZPQAUQC-HFCFLWKCSA-N 2 2 338.492 2.507 10 30 EFEELP C=C(C)C[N@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001490388603 1298810860 /nfs/dbraw/zinc/81/08/60/1298810860.db2.gz YXXRFWXPQCMFNN-UHFFFAOYSA-N 2 2 340.471 2.732 10 30 EFEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001490388603 1298810870 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SEGAQTPYBNEZLH-IYWMVGAKSA-N 2 2 342.483 2.994 10 30 EFEELP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001276886938 1311254705 /nfs/dbraw/zinc/25/47/05/1311254705.db2.gz QWAMJPOXCZQPJC-UHFFFAOYSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001276886938 1311254707 /nfs/dbraw/zinc/25/47/07/1311254707.db2.gz QWAMJPOXCZQPJC-UHFFFAOYSA-N 2 2 344.503 2.633 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001276905807 1311283645 /nfs/dbraw/zinc/28/36/45/1311283645.db2.gz HMBWDQJNFAUBSR-BGYRXZFFSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001276905807 1311283648 /nfs/dbraw/zinc/28/36/48/1311283648.db2.gz HMBWDQJNFAUBSR-BGYRXZFFSA-N 2 2 344.503 2.869 10 30 EFEELP C#CC[N@@H+](Cc1cc(CC=C)cc(OC)c1O)C1CC[NH+](C)CC1 ZINC000902536550 1311846792 /nfs/dbraw/zinc/84/67/92/1311846792.db2.gz HYICOLKKJMMIFZ-UHFFFAOYSA-N 2 2 328.456 2.659 10 30 EFEELP 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/nfs/dbraw/zinc/45/67/55/1315456755.db2.gz RWUROIQEBGIMFE-YLJYHZDGSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278669005 1315456758 /nfs/dbraw/zinc/45/67/58/1315456758.db2.gz RWUROIQEBGIMFE-YLJYHZDGSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001264515060 1316625462 /nfs/dbraw/zinc/62/54/62/1316625462.db2.gz IZHZFAWLRKCGLY-IAGOWNOFSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001264515061 1316625485 /nfs/dbraw/zinc/62/54/85/1316625485.db2.gz IZHZFAWLRKCGLY-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264682141 1316655003 /nfs/dbraw/zinc/65/50/03/1316655003.db2.gz QPLWVIIWFKDCNG-IAGOWNOFSA-N 2 2 332.492 2.915 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264682141 1316655005 /nfs/dbraw/zinc/65/50/05/1316655005.db2.gz QPLWVIIWFKDCNG-IAGOWNOFSA-N 2 2 332.492 2.915 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001264682086 1316655087 /nfs/dbraw/zinc/65/50/87/1316655087.db2.gz PUYMRIPXQZZEBU-KZNAEPCWSA-N 2 2 344.503 2.851 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264682143 1316655103 /nfs/dbraw/zinc/65/51/03/1316655103.db2.gz QPLWVIIWFKDCNG-SJORKVTESA-N 2 2 332.492 2.915 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264682143 1316655105 /nfs/dbraw/zinc/65/51/05/1316655105.db2.gz QPLWVIIWFKDCNG-SJORKVTESA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001265086270 1316716548 /nfs/dbraw/zinc/71/65/48/1316716548.db2.gz PQBNGGYZXSWLKZ-FUHWJXTLSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001265199526 1316750875 /nfs/dbraw/zinc/75/08/75/1316750875.db2.gz YTKROCGSMOMTSU-OAHLLOKOSA-N 2 2 332.492 2.965 10 30 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C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001324557669 1329639499 /nfs/dbraw/zinc/63/94/99/1329639499.db2.gz STWVZGJJXOYDPE-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001327578167 1330498697 /nfs/dbraw/zinc/49/86/97/1330498697.db2.gz SPHQZPNLNVPZES-HXUWFJFHSA-N 2 2 345.487 2.530 10 30 EFEELP C=CCC[N@H+]1Cc2ccc(CNC(=O)CCc3[nH+]ccn3C)cc2C1 ZINC001327694712 1330509453 /nfs/dbraw/zinc/50/94/53/1330509453.db2.gz AVJABWNZQHPGAY-UHFFFAOYSA-N 2 2 338.455 2.561 10 30 EFEELP C=CCC[N@@H+]1Cc2ccc(CNC(=O)CCc3[nH+]ccn3C)cc2C1 ZINC001327694712 1330509455 /nfs/dbraw/zinc/50/94/55/1330509455.db2.gz AVJABWNZQHPGAY-UHFFFAOYSA-N 2 2 338.455 2.561 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001328734491 1330623606 /nfs/dbraw/zinc/62/36/06/1330623606.db2.gz XIKIVQJNDUOGDV-QGZVFWFLSA-N 2 2 331.460 2.522 10 30 EFEELP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001328734491 1330623608 /nfs/dbraw/zinc/62/36/08/1330623608.db2.gz XIKIVQJNDUOGDV-QGZVFWFLSA-N 2 2 331.460 2.522 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778552 1330630405 /nfs/dbraw/zinc/63/04/05/1330630405.db2.gz AHDIDXKGSJNRKO-HZPDHXFCSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778552 1330630408 /nfs/dbraw/zinc/63/04/08/1330630408.db2.gz AHDIDXKGSJNRKO-HZPDHXFCSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001329307929 1330692462 /nfs/dbraw/zinc/69/24/62/1330692462.db2.gz PCVMWAJFWFKMCV-SJORKVTESA-N 2 2 346.519 2.874 10 30 EFEELP C#CC[NH2+]CC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001329828999 1330741189 /nfs/dbraw/zinc/74/11/89/1330741189.db2.gz IWAJTEXPZJHXAO-QGZVFWFLSA-N 2 2 330.476 2.512 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001329829574 1330741194 /nfs/dbraw/zinc/74/11/94/1330741194.db2.gz PFUVIUXJROSBGP-KRWDZBQOSA-N 2 2 344.503 2.820 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001332114141 1330922757 /nfs/dbraw/zinc/92/27/57/1330922757.db2.gz VJUFKQQETBSSCS-HHXXYDBFSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001332114141 1330922760 /nfs/dbraw/zinc/92/27/60/1330922760.db2.gz VJUFKQQETBSSCS-HHXXYDBFSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001332114141 1330922764 /nfs/dbraw/zinc/92/27/64/1330922764.db2.gz VJUFKQQETBSSCS-HHXXYDBFSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001332114141 1330922766 /nfs/dbraw/zinc/92/27/66/1330922766.db2.gz VJUFKQQETBSSCS-HHXXYDBFSA-N 2 2 330.476 2.668 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001332209697 1330941400 /nfs/dbraw/zinc/94/14/00/1330941400.db2.gz ZAUVMMPANYKGOH-AEFFLSMTSA-N 2 2 334.508 2.902 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001332209697 1330941403 /nfs/dbraw/zinc/94/14/03/1330941403.db2.gz ZAUVMMPANYKGOH-AEFFLSMTSA-N 2 2 334.508 2.902 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001332209701 1330941558 /nfs/dbraw/zinc/94/15/58/1330941558.db2.gz ZAUVMMPANYKGOH-WMZOPIPTSA-N 2 2 334.508 2.902 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001332209701 1330941562 /nfs/dbraw/zinc/94/15/62/1330941562.db2.gz ZAUVMMPANYKGOH-WMZOPIPTSA-N 2 2 334.508 2.902 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332215882 1330942104 /nfs/dbraw/zinc/94/21/04/1330942104.db2.gz BUIFQNXDQAKOOA-IAGOWNOFSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332215882 1330942107 /nfs/dbraw/zinc/94/21/07/1330942107.db2.gz BUIFQNXDQAKOOA-IAGOWNOFSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001332991734 1331060398 /nfs/dbraw/zinc/06/03/98/1331060398.db2.gz JLHOSYNDWYWGBO-INIZCTEOSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001332991924 1331061158 /nfs/dbraw/zinc/06/11/58/1331061158.db2.gz LEQYTJKIPXJLMU-IRXDYDNUSA-N 2 2 332.492 2.845 10 30 EFEELP C=CCCC[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001346538833 1332655177 /nfs/dbraw/zinc/65/51/77/1332655177.db2.gz XDDCYTYHVVDRFY-LJQANCHMSA-N 2 2 344.503 2.806 10 30 EFEELP C[C@H]1C(=NNCCCn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000848416136 1334712543 /nfs/dbraw/zinc/71/25/43/1334712543.db2.gz ANAYZXFLRJGMOI-KRWDZBQOSA-N 2 2 325.460 2.903 10 30 EFEELP C[C@H]1C(=NNCCCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000848416136 1334712544 /nfs/dbraw/zinc/71/25/44/1334712544.db2.gz ANAYZXFLRJGMOI-KRWDZBQOSA-N 2 2 325.460 2.903 10 30 EFEELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)N=Cc1cc2ccccc2[nH]c1=O ZINC000849170258 1335563008 /nfs/dbraw/zinc/56/30/08/1335563008.db2.gz NBNQROKYPXQWST-NPRIEWAGSA-N 2 2 328.460 2.631 10 30 EFEELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)N=Cc1cc2ccccc2[nH]c1=O ZINC000849170258 1335563011 /nfs/dbraw/zinc/56/30/11/1335563011.db2.gz NBNQROKYPXQWST-NPRIEWAGSA-N 2 2 328.460 2.631 10 30 EFEELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)N=Cc1cc2ccccc2[nH]c1=O ZINC000849170257 1335563062 /nfs/dbraw/zinc/56/30/62/1335563062.db2.gz NBNQROKYPXQWST-HYTQYMIGSA-N 2 2 328.460 2.631 10 30 EFEELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)N=Cc1cc2ccccc2[nH]c1=O ZINC000849170257 1335563064 /nfs/dbraw/zinc/56/30/64/1335563064.db2.gz NBNQROKYPXQWST-HYTQYMIGSA-N 2 2 328.460 2.631 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001373712052 1341116466 /nfs/dbraw/zinc/11/64/66/1341116466.db2.gz HKUOLHUTPPHGIS-HZPDHXFCSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001373712052 1341116467 /nfs/dbraw/zinc/11/64/67/1341116467.db2.gz HKUOLHUTPPHGIS-HZPDHXFCSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001373712052 1341116468 /nfs/dbraw/zinc/11/64/68/1341116468.db2.gz HKUOLHUTPPHGIS-HZPDHXFCSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001373712052 1341116469 /nfs/dbraw/zinc/11/64/69/1341116469.db2.gz HKUOLHUTPPHGIS-HZPDHXFCSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001373712048 1341116521 /nfs/dbraw/zinc/11/65/21/1341116521.db2.gz HKUOLHUTPPHGIS-CVEARBPZSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001373712048 1341116522 /nfs/dbraw/zinc/11/65/22/1341116522.db2.gz HKUOLHUTPPHGIS-CVEARBPZSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001373712048 1341116523 /nfs/dbraw/zinc/11/65/23/1341116523.db2.gz HKUOLHUTPPHGIS-CVEARBPZSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001373712048 1341116524 /nfs/dbraw/zinc/11/65/24/1341116524.db2.gz HKUOLHUTPPHGIS-CVEARBPZSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001375160669 1342477528 /nfs/dbraw/zinc/47/75/28/1342477528.db2.gz RYWWLBHVGFFOED-CVEARBPZSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001375160669 1342477531 /nfs/dbraw/zinc/47/75/31/1342477531.db2.gz RYWWLBHVGFFOED-CVEARBPZSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001379723612 1347287289 /nfs/dbraw/zinc/28/72/89/1347287289.db2.gz LUCXTKAUMCXVBM-NVXWUHKLSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001379723612 1347287291 /nfs/dbraw/zinc/28/72/91/1347287291.db2.gz LUCXTKAUMCXVBM-NVXWUHKLSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001379723612 1347287293 /nfs/dbraw/zinc/28/72/93/1347287293.db2.gz LUCXTKAUMCXVBM-NVXWUHKLSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001379723612 1347287296 /nfs/dbraw/zinc/28/72/96/1347287296.db2.gz LUCXTKAUMCXVBM-NVXWUHKLSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001382100312 1348720638 /nfs/dbraw/zinc/72/06/38/1348720638.db2.gz OAWUAFCGVIKNSW-CABCVRRESA-N 2 2 326.872 2.659 10 30 EFEELP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCCC2)CC1 ZINC001402252669 1363572777 /nfs/dbraw/zinc/57/27/77/1363572777.db2.gz YAPDLYHHSGROBP-UHFFFAOYSA-N 2 2 327.900 2.538 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001405067261 1365998869 /nfs/dbraw/zinc/99/88/69/1365998869.db2.gz YAQZZHUOWIUYNI-CQSZACIVSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001405067261 1365998872 /nfs/dbraw/zinc/99/88/72/1365998872.db2.gz YAQZZHUOWIUYNI-CQSZACIVSA-N 2 2 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MFBJVPVGZZRJLZ-HNAYVOBHSA-N 2 2 332.492 2.882 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001698731046 1417321825 /nfs/dbraw/zinc/32/18/25/1417321825.db2.gz PDQIKCSZNAVAEH-HZPDHXFCSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699680728 1417448832 /nfs/dbraw/zinc/44/88/32/1417448832.db2.gz IHZCUXSMINVQQF-MQVJKMGUSA-N 2 2 330.476 2.765 10 30 EFEELP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001699688310 1417452616 /nfs/dbraw/zinc/45/26/16/1417452616.db2.gz CKEXUXSMYGQPHX-KRWDZBQOSA-N 2 2 342.487 2.561 10 30 EFEELP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001699688310 1417452617 /nfs/dbraw/zinc/45/26/17/1417452617.db2.gz CKEXUXSMYGQPHX-KRWDZBQOSA-N 2 2 342.487 2.561 10 30 EFEELP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699869940 1417487585 /nfs/dbraw/zinc/48/75/85/1417487585.db2.gz WERZXFWOUOZOEK-QUCCMNQESA-N 2 2 344.503 2.712 10 30 EFEELP 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C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CCCCC1 ZINC001714973265 1418643447 /nfs/dbraw/zinc/64/34/47/1418643447.db2.gz CERROUGLWJHWBO-RTBURBONSA-N 2 2 344.503 2.758 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001715543559 1418677853 /nfs/dbraw/zinc/67/78/53/1418677853.db2.gz IHIWGIURDQLUTE-IRXDYDNUSA-N 2 2 338.455 2.837 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001715543559 1418677856 /nfs/dbraw/zinc/67/78/56/1418677856.db2.gz IHIWGIURDQLUTE-IRXDYDNUSA-N 2 2 338.455 2.837 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001716638733 1418933927 /nfs/dbraw/zinc/93/39/27/1418933927.db2.gz DPLQQOXBIKECDX-SJLPKXTDSA-N 2 2 332.492 2.536 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCCC1 ZINC001716714040 1418969944 /nfs/dbraw/zinc/96/99/44/1418969944.db2.gz WUJOZMZSCHUUIY-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCCC1 ZINC001716714040 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C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001717627379 1419476741 /nfs/dbraw/zinc/47/67/41/1419476741.db2.gz PHGNSLZMFGYUMU-OTWHNJEPSA-N 2 2 344.503 2.846 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001717627379 1419476742 /nfs/dbraw/zinc/47/67/42/1419476742.db2.gz PHGNSLZMFGYUMU-OTWHNJEPSA-N 2 2 344.503 2.846 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC001717632536 1419480823 /nfs/dbraw/zinc/48/08/23/1419480823.db2.gz MMVNNQYFLDZAGP-YSGRDPCXSA-N 2 2 344.503 2.786 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC001717632536 1419480824 /nfs/dbraw/zinc/48/08/24/1419480824.db2.gz MMVNNQYFLDZAGP-YSGRDPCXSA-N 2 2 344.503 2.786 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001717837723 1419567754 /nfs/dbraw/zinc/56/77/54/1419567754.db2.gz OXQXXQQKXCBXJF-LNLFQRSKSA-N 2 2 330.476 2.741 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001717837723 1419567758 /nfs/dbraw/zinc/56/77/58/1419567758.db2.gz OXQXXQQKXCBXJF-LNLFQRSKSA-N 2 2 330.476 2.741 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001717842622 1419572342 /nfs/dbraw/zinc/57/23/42/1419572342.db2.gz ZXKYIKZCNSRYHV-PKOBYXMFSA-N 2 2 330.476 2.743 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001717842622 1419572344 /nfs/dbraw/zinc/57/23/44/1419572344.db2.gz ZXKYIKZCNSRYHV-PKOBYXMFSA-N 2 2 330.476 2.743 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001717842620 1419572748 /nfs/dbraw/zinc/57/27/48/1419572748.db2.gz ZXKYIKZCNSRYHV-MJGOQNOKSA-N 2 2 330.476 2.743 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001717842620 1419572751 /nfs/dbraw/zinc/57/27/51/1419572751.db2.gz ZXKYIKZCNSRYHV-MJGOQNOKSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001717854805 1419582991 /nfs/dbraw/zinc/58/29/91/1419582991.db2.gz YXCCUWHXSUYFOQ-IRXDYDNUSA-N 2 2 332.492 2.862 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001717854805 1419582993 /nfs/dbraw/zinc/58/29/93/1419582993.db2.gz YXCCUWHXSUYFOQ-IRXDYDNUSA-N 2 2 332.492 2.862 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)c(F)c1 ZINC001718037319 1419674435 /nfs/dbraw/zinc/67/44/35/1419674435.db2.gz VMMBTROJGPGXIV-HNNXBMFYSA-N 2 2 344.434 2.955 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)CCC=C ZINC001723662961 1424550998 /nfs/dbraw/zinc/55/09/98/1424550998.db2.gz BHKWUUCRDGUYCJ-ZRNYENFQSA-N 2 2 343.515 2.504 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)CCC=C ZINC001723662961 1424551004 /nfs/dbraw/zinc/55/10/04/1424551004.db2.gz BHKWUUCRDGUYCJ-ZRNYENFQSA-N 2 2 343.515 2.504 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2[C@H](C)CCC=C ZINC001723662961 1424551007 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OCCFUWPLBWMANQ-ZJPYXAASSA-N 2 2 330.476 2.770 10 30 EFEELP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001724603342 1424820396 /nfs/dbraw/zinc/82/03/96/1424820396.db2.gz OCCFUWPLBWMANQ-ZJPYXAASSA-N 2 2 330.476 2.770 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001724658086 1424898829 /nfs/dbraw/zinc/89/88/29/1424898829.db2.gz GLAFAJNYFGUBDU-PKOBYXMFSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001724658086 1424898840 /nfs/dbraw/zinc/89/88/40/1424898840.db2.gz GLAFAJNYFGUBDU-PKOBYXMFSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724890354 1425103622 /nfs/dbraw/zinc/10/36/22/1425103622.db2.gz WTDSWJITQBJHBD-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001724890354 1425103633 /nfs/dbraw/zinc/10/36/33/1425103633.db2.gz WTDSWJITQBJHBD-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898422 1425117720 /nfs/dbraw/zinc/11/77/20/1425117720.db2.gz LSMWYUWHQIKNAA-OXQOHEQNSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898422 1425117723 /nfs/dbraw/zinc/11/77/23/1425117723.db2.gz LSMWYUWHQIKNAA-OXQOHEQNSA-N 2 2 344.503 2.930 10 30 EFEELP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2C1 ZINC001724921861 1425133752 /nfs/dbraw/zinc/13/37/52/1425133752.db2.gz APRDIIRZTYFJSZ-UHFFFAOYSA-N 2 2 338.455 2.561 10 30 EFEELP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2C1 ZINC001724921861 1425133761 /nfs/dbraw/zinc/13/37/61/1425133761.db2.gz APRDIIRZTYFJSZ-UHFFFAOYSA-N 2 2 338.455 2.561 10 30 EFEELP C#CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCCC3)cc2C1 ZINC001724923553 1425135926 /nfs/dbraw/zinc/13/59/26/1425135926.db2.gz MJAMOLISRUETQS-UHFFFAOYSA-N 2 2 339.483 2.516 10 30 EFEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCCC3)cc2C1 ZINC001724923553 1425135936 /nfs/dbraw/zinc/13/59/36/1425135936.db2.gz MJAMOLISRUETQS-UHFFFAOYSA-N 2 2 339.483 2.516 10 30 EFEELP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725027647 1425239550 /nfs/dbraw/zinc/23/95/50/1425239550.db2.gz VBDXAJPDSAYETH-LJQANCHMSA-N 2 2 344.503 2.664 10 30 EFEELP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725027647 1425239557 /nfs/dbraw/zinc/23/95/57/1425239557.db2.gz VBDXAJPDSAYETH-LJQANCHMSA-N 2 2 344.503 2.664 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001725066004 1425279092 /nfs/dbraw/zinc/27/90/92/1425279092.db2.gz IJVNJXNBZZQHGN-ODIFPOPNSA-N 2 2 332.492 2.766 10 30 EFEELP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001725238498 1425403943 /nfs/dbraw/zinc/40/39/43/1425403943.db2.gz TZLLPFONYHGXRW-SFHVURJKSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001725238498 1425403947 /nfs/dbraw/zinc/40/39/47/1425403947.db2.gz TZLLPFONYHGXRW-SFHVURJKSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001725254270 1425417592 /nfs/dbraw/zinc/41/75/92/1425417592.db2.gz LEHGWOUTDLOJJU-JKSUJKDBSA-N 2 2 332.492 2.718 10 30 EFEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001725254883 1425418913 /nfs/dbraw/zinc/41/89/13/1425418913.db2.gz JYQVGQJJYBHSGQ-IRXDYDNUSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001725345391 1425492656 /nfs/dbraw/zinc/49/26/56/1425492656.db2.gz MHNSQBLDUGIGDG-IAGOWNOFSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001725345391 1425492658 /nfs/dbraw/zinc/49/26/58/1425492658.db2.gz MHNSQBLDUGIGDG-IAGOWNOFSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345391 1425492665 /nfs/dbraw/zinc/49/26/65/1425492665.db2.gz MHNSQBLDUGIGDG-IAGOWNOFSA-N 2 2 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ZINC001571624593 1086995479 /nfs/dbraw/zinc/99/54/79/1086995479.db2.gz MYOHMZLSFLMDAJ-INIZCTEOSA-N 2 2 328.460 2.953 10 30 EFEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001571627319 1086998851 /nfs/dbraw/zinc/99/88/51/1086998851.db2.gz RANFHFCCMORZQU-DLBZAZTESA-N 2 2 332.492 2.614 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001571650452 1087020959 /nfs/dbraw/zinc/02/09/59/1087020959.db2.gz SOEZLIMZBLOWPM-CVEARBPZSA-N 2 2 332.492 2.771 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001571650452 1087020965 /nfs/dbraw/zinc/02/09/65/1087020965.db2.gz SOEZLIMZBLOWPM-CVEARBPZSA-N 2 2 332.492 2.771 10 30 EFEELP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001649435280 1092453751 /nfs/dbraw/zinc/45/37/51/1092453751.db2.gz OSLNJKKTCFNWGX-CVEARBPZSA-N 2 2 326.444 2.741 10 30 EFEELP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001267168544 1093032694 /nfs/dbraw/zinc/03/26/94/1093032694.db2.gz VAEVKWYYVLSDKP-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001267168544 1093032701 /nfs/dbraw/zinc/03/27/01/1093032701.db2.gz VAEVKWYYVLSDKP-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267170092 1093045089 /nfs/dbraw/zinc/04/50/89/1093045089.db2.gz DKCVTTSZGZUGPE-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267170092 1093045093 /nfs/dbraw/zinc/04/50/93/1093045093.db2.gz DKCVTTSZGZUGPE-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001671251010 1093291367 /nfs/dbraw/zinc/29/13/67/1093291367.db2.gz HTRHYZYGTNXSQL-IAGOWNOFSA-N 2 2 334.508 2.902 10 30 EFEELP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001267361544 1094308758 /nfs/dbraw/zinc/30/87/58/1094308758.db2.gz BZSLZGZXRSEZTB-GOSISDBHSA-N 2 2 340.471 2.950 10 30 EFEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001268044863 1094794763 /nfs/dbraw/zinc/79/47/63/1094794763.db2.gz LZMDLLFKWFIJHN-UHFFFAOYSA-N 2 2 344.503 2.817 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267542498 1095427073 /nfs/dbraw/zinc/42/70/73/1095427073.db2.gz XWRLSNLJAQLWJF-BRWVUGGUSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267542498 1095427080 /nfs/dbraw/zinc/42/70/80/1095427080.db2.gz XWRLSNLJAQLWJF-BRWVUGGUSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267542498 1095427093 /nfs/dbraw/zinc/42/70/93/1095427093.db2.gz XWRLSNLJAQLWJF-BRWVUGGUSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267542498 1095427103 /nfs/dbraw/zinc/42/71/03/1095427103.db2.gz XWRLSNLJAQLWJF-BRWVUGGUSA-N 2 2 330.476 2.792 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267544620 1095442292 /nfs/dbraw/zinc/44/22/92/1095442292.db2.gz SAFYVVDVTVMEJD-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267544620 1095442300 /nfs/dbraw/zinc/44/23/00/1095442300.db2.gz SAFYVVDVTVMEJD-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267545341 1095446579 /nfs/dbraw/zinc/44/65/79/1095446579.db2.gz RWJLTEIJBBILTB-HNNXBMFYSA-N 2 2 326.444 2.971 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267545341 1095446592 /nfs/dbraw/zinc/44/65/92/1095446592.db2.gz RWJLTEIJBBILTB-HNNXBMFYSA-N 2 2 326.444 2.971 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001268134938 1095461926 /nfs/dbraw/zinc/46/19/26/1095461926.db2.gz PQWXIGFFPXZTCM-ZBFHGGJFSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268160317 1095592847 /nfs/dbraw/zinc/59/28/47/1095592847.db2.gz HGVOVFXCRUFVCV-RCCFBDPRSA-N 2 2 344.503 2.851 10 30 EFEELP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001267713770 1095597812 /nfs/dbraw/zinc/59/78/12/1095597812.db2.gz PQZYRCVRQJPCHY-GBESFXJTSA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001267713770 1095597819 /nfs/dbraw/zinc/59/78/19/1095597819.db2.gz PQZYRCVRQJPCHY-GBESFXJTSA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001267713770 1095597826 /nfs/dbraw/zinc/59/78/26/1095597826.db2.gz PQZYRCVRQJPCHY-GBESFXJTSA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001267713770 1095597833 /nfs/dbraw/zinc/59/78/33/1095597833.db2.gz PQZYRCVRQJPCHY-GBESFXJTSA-N 2 2 327.472 2.541 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001481675159 1096284865 /nfs/dbraw/zinc/28/48/65/1096284865.db2.gz DWQLTZDZEZUBNU-OALUTQOASA-N 2 2 336.439 2.737 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001481675159 1096284871 /nfs/dbraw/zinc/28/48/71/1096284871.db2.gz DWQLTZDZEZUBNU-OALUTQOASA-N 2 2 336.439 2.737 10 30 EFEELP CC#CC[NH2+]C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@@H]1C ZINC001481957685 1096996478 /nfs/dbraw/zinc/99/64/78/1096996478.db2.gz JGRMZGKQBRAFND-MGPUTAFESA-N 2 2 338.455 2.855 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001481980686 1097034800 /nfs/dbraw/zinc/03/48/00/1097034800.db2.gz CALCHCWVGGUESJ-MSOLQXFVSA-N 2 2 344.503 2.630 10 30 EFEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001481979124 1097039973 /nfs/dbraw/zinc/03/99/73/1097039973.db2.gz MNHJVRJXQLOLGH-KRWDZBQOSA-N 2 2 338.455 2.890 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001269251075 1097985409 /nfs/dbraw/zinc/98/54/09/1097985409.db2.gz LFLUTDGQLGCQFO-QZTJIDSGSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001269251075 1097985415 /nfs/dbraw/zinc/98/54/15/1097985415.db2.gz LFLUTDGQLGCQFO-QZTJIDSGSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001269251074 1097986092 /nfs/dbraw/zinc/98/60/92/1097986092.db2.gz LFLUTDGQLGCQFO-MSOLQXFVSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001269251074 1097986097 /nfs/dbraw/zinc/98/60/97/1097986097.db2.gz LFLUTDGQLGCQFO-MSOLQXFVSA-N 2 2 346.519 2.949 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001482223086 1098172000 /nfs/dbraw/zinc/17/20/00/1098172000.db2.gz PNQZUBHQNJQYSV-SJORKVTESA-N 2 2 344.503 2.819 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001482223083 1098172146 /nfs/dbraw/zinc/17/21/46/1098172146.db2.gz PNQZUBHQNJQYSV-IAGOWNOFSA-N 2 2 344.503 2.819 10 30 EFEELP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001269571341 1098256283 /nfs/dbraw/zinc/25/62/83/1098256283.db2.gz ZQIFFELJCXBPOI-AYHJJNSGSA-N 2 2 344.503 2.821 10 30 EFEELP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001269575207 1098261594 /nfs/dbraw/zinc/26/15/94/1098261594.db2.gz RSCGWFFJVHRRKG-AYHJJNSGSA-N 2 2 344.503 2.821 10 30 EFEELP C=CCC[NH2+]C[C@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@H]1C ZINC001269672656 1098347325 /nfs/dbraw/zinc/34/73/25/1098347325.db2.gz YBNSMFUPRBDRAP-VQIMIIECSA-N 2 2 332.492 2.584 10 30 EFEELP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267910981 1098591831 /nfs/dbraw/zinc/59/18/31/1098591831.db2.gz YTNKKBXRCLKMPS-GOSISDBHSA-N 2 2 344.503 2.630 10 30 EFEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001270345817 1098988985 /nfs/dbraw/zinc/98/89/85/1098988985.db2.gz PQBUVEJJVHFEOR-RRGWEWPQSA-N 2 2 348.878 2.513 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001481337257 1099358698 /nfs/dbraw/zinc/35/86/98/1099358698.db2.gz KRSHODCJPAGKGR-IRXDYDNUSA-N 2 2 332.492 2.845 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001481340701 1099374587 /nfs/dbraw/zinc/37/45/87/1099374587.db2.gz TZCDQEKFQJRKKU-JKSUJKDBSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001481340701 1099374596 /nfs/dbraw/zinc/37/45/96/1099374596.db2.gz TZCDQEKFQJRKKU-JKSUJKDBSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001481371029 1099504396 /nfs/dbraw/zinc/50/43/96/1099504396.db2.gz QQZDMZFZLWPJPK-FUHWJXTLSA-N 2 2 326.444 2.857 10 30 EFEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399261 1099614446 /nfs/dbraw/zinc/61/44/46/1099614446.db2.gz ITJHZUIWIVQKLJ-SFHVURJKSA-N 2 2 338.455 2.593 10 30 EFEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399261 1099614459 /nfs/dbraw/zinc/61/44/59/1099614459.db2.gz ITJHZUIWIVQKLJ-SFHVURJKSA-N 2 2 338.455 2.593 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481406832 1099652303 /nfs/dbraw/zinc/65/23/03/1099652303.db2.gz WTCRCNBCUFYSQM-YESZJQIVSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481406832 1099652310 /nfs/dbraw/zinc/65/23/10/1099652310.db2.gz WTCRCNBCUFYSQM-YESZJQIVSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481406832 1099652316 /nfs/dbraw/zinc/65/23/16/1099652316.db2.gz WTCRCNBCUFYSQM-YESZJQIVSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481406832 1099652322 /nfs/dbraw/zinc/65/23/22/1099652322.db2.gz WTCRCNBCUFYSQM-YESZJQIVSA-N 2 2 341.927 2.782 10 30 EFEELP C#CCC[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001267869874 1099753005 /nfs/dbraw/zinc/75/30/05/1099753005.db2.gz HKPLSBCLUHBWQA-JXFKEZNVSA-N 2 2 338.455 2.626 10 30 EFEELP C#CCC[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001267869877 1099753075 /nfs/dbraw/zinc/75/30/75/1099753075.db2.gz HKPLSBCLUHBWQA-UZLBHIALSA-N 2 2 338.455 2.626 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCC1 ZINC001482410603 1100066822 /nfs/dbraw/zinc/06/68/22/1100066822.db2.gz XZLJBWDOSCKUCW-KURKYZTESA-N 2 2 344.503 2.754 10 30 EFEELP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001279137097 1100243368 /nfs/dbraw/zinc/24/33/68/1100243368.db2.gz QQTCJRBXXGTSIG-PKOBYXMFSA-N 2 2 344.503 2.710 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001270926103 1100274321 /nfs/dbraw/zinc/27/43/21/1100274321.db2.gz QVTQNRHEZJIBQQ-KRWDZBQOSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270975125 1100323490 /nfs/dbraw/zinc/32/34/90/1100323490.db2.gz VMKFKZAVRCADHQ-LJQANCHMSA-N 2 2 326.444 2.742 10 30 EFEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270975125 1100323501 /nfs/dbraw/zinc/32/35/01/1100323501.db2.gz VMKFKZAVRCADHQ-LJQANCHMSA-N 2 2 326.444 2.742 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001270975488 1100326846 /nfs/dbraw/zinc/32/68/46/1100326846.db2.gz YOTDJVLQVDUQJG-XLIONFOSSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001270975488 1100326855 /nfs/dbraw/zinc/32/68/55/1100326855.db2.gz YOTDJVLQVDUQJG-XLIONFOSSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001482467114 1100742120 /nfs/dbraw/zinc/74/21/20/1100742120.db2.gz BIBXEODWAADEML-SJORKVTESA-N 2 2 344.503 2.555 10 30 EFEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001670581379 1101356495 /nfs/dbraw/zinc/35/64/95/1101356495.db2.gz HFTBZRWSTALXEN-JKSUJKDBSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001271335378 1101401710 /nfs/dbraw/zinc/40/17/10/1101401710.db2.gz SWAXRXFNHFNXFO-ZACQAIPSSA-N 2 2 330.476 2.744 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001271335378 1101401722 /nfs/dbraw/zinc/40/17/22/1101401722.db2.gz SWAXRXFNHFNXFO-ZACQAIPSSA-N 2 2 330.476 2.744 10 30 EFEELP N#C[C@H]1CC[C@@H]([N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)C1 ZINC001655704791 1101875563 /nfs/dbraw/zinc/87/55/63/1101875563.db2.gz QRDJFVLULQPWEZ-VQTJNVASSA-N 2 2 327.472 2.903 10 30 EFEELP N#C[C@H]1CC[C@@H]([N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)C1 ZINC001655704791 1101875577 /nfs/dbraw/zinc/87/55/77/1101875577.db2.gz QRDJFVLULQPWEZ-VQTJNVASSA-N 2 2 327.472 2.903 10 30 EFEELP N#C[C@H]1CC[C@@H]([NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)C1 ZINC001655704791 1101875586 /nfs/dbraw/zinc/87/55/86/1101875586.db2.gz QRDJFVLULQPWEZ-VQTJNVASSA-N 2 2 327.472 2.903 10 30 EFEELP N#C[C@H]1CC[C@@H]([NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)C1 ZINC001655704791 1101875595 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C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001484983814 1117908011 /nfs/dbraw/zinc/90/80/11/1117908011.db2.gz YKKIVRWVWJUYFU-CVEARBPZSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001485044032 1117962934 /nfs/dbraw/zinc/96/29/34/1117962934.db2.gz KQSFQVBTYACYJO-QKYXUNIQSA-N 2 2 338.455 2.782 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485176943 1118111950 /nfs/dbraw/zinc/11/19/50/1118111950.db2.gz MRDBEZWVRQOFGG-KGLIPLIRSA-N 2 2 332.835 2.721 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001485239199 1118171014 /nfs/dbraw/zinc/17/10/14/1118171014.db2.gz DWVMVQRNGXBNHT-AOCRQIFASA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001485582706 1118468334 /nfs/dbraw/zinc/46/83/34/1118468334.db2.gz STCLQNLWZNHRLH-KRWDZBQOSA-N 2 2 332.492 2.834 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001485582706 1118468335 /nfs/dbraw/zinc/46/83/35/1118468335.db2.gz STCLQNLWZNHRLH-KRWDZBQOSA-N 2 2 332.492 2.834 10 30 EFEELP C=CCC[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001485761668 1118573316 /nfs/dbraw/zinc/57/33/16/1118573316.db2.gz XUJWBZMQECAVFN-UHFFFAOYSA-N 2 2 338.455 2.985 10 30 EFEELP C=CCC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001485761668 1118573319 /nfs/dbraw/zinc/57/33/19/1118573319.db2.gz XUJWBZMQECAVFN-UHFFFAOYSA-N 2 2 338.455 2.985 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261820553 240326631 /nfs/dbraw/zinc/32/66/31/240326631.db2.gz PJFWTBXCBNBMPL-GDBMZVCRSA-N 2 2 335.517 2.710 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261820553 240326638 /nfs/dbraw/zinc/32/66/38/240326638.db2.gz PJFWTBXCBNBMPL-GDBMZVCRSA-N 2 2 335.517 2.710 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)CCC2 ZINC000328657106 241215746 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334.851 2.565 10 30 EFEELP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285551470 267211610 /nfs/dbraw/zinc/21/16/10/267211610.db2.gz GPJWNYYROFZXQK-KRWDZBQOSA-N 2 2 326.488 2.991 10 30 EFEELP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285551470 267211614 /nfs/dbraw/zinc/21/16/14/267211614.db2.gz GPJWNYYROFZXQK-KRWDZBQOSA-N 2 2 326.488 2.991 10 30 EFEELP Cc1cc(NCc2cccc(NC(=O)C[NH+](C)C)c2)c(C#N)c(C)[nH+]1 ZINC000301793551 267349096 /nfs/dbraw/zinc/34/90/96/267349096.db2.gz RVBLJHARFPZIDH-UHFFFAOYSA-N 2 2 337.427 2.682 10 30 EFEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000160082383 277045139 /nfs/dbraw/zinc/04/51/39/277045139.db2.gz LJGDUTJLOONWQR-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000160082383 277045140 /nfs/dbraw/zinc/04/51/40/277045140.db2.gz LJGDUTJLOONWQR-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP C[C@@]1([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+](Cc2ccccc2)C1 ZINC000566352681 319065879 /nfs/dbraw/zinc/06/58/79/319065879.db2.gz XFRPKZXSWVJDPE-OAQYLSRUSA-N 2 2 345.450 2.960 10 30 EFEELP C[C@@]1([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000566352681 319065881 /nfs/dbraw/zinc/06/58/81/319065881.db2.gz XFRPKZXSWVJDPE-OAQYLSRUSA-N 2 2 345.450 2.960 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2=O)cc1 ZINC000569330729 319370274 /nfs/dbraw/zinc/37/02/74/319370274.db2.gz BHSMSKDBQZRVBI-UFYCRDLUSA-N 2 2 346.434 2.788 10 30 EFEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000190458429 473281319 /nfs/dbraw/zinc/28/13/19/473281319.db2.gz UJUBBZRPLIGEBJ-CQSZACIVSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000190458429 473281324 /nfs/dbraw/zinc/28/13/24/473281324.db2.gz UJUBBZRPLIGEBJ-CQSZACIVSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190458429 473281330 /nfs/dbraw/zinc/28/13/30/473281330.db2.gz UJUBBZRPLIGEBJ-CQSZACIVSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000190458429 473281337 /nfs/dbraw/zinc/28/13/37/473281337.db2.gz UJUBBZRPLIGEBJ-CQSZACIVSA-N 2 2 330.457 2.870 10 30 EFEELP C[NH+](C)C1CC[NH+](CCNc2ncc(C#N)c3ccsc32)CC1 ZINC000601124927 468751992 /nfs/dbraw/zinc/75/19/92/468751992.db2.gz KBAJBZHWKDKZGG-UHFFFAOYSA-N 2 2 329.473 2.606 10 30 EFEELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153110 478801132 /nfs/dbraw/zinc/80/11/32/478801132.db2.gz JASFUJKLJWOMKZ-LJQANCHMSA-N 2 2 326.444 2.866 10 30 EFEELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592153110 478801141 /nfs/dbraw/zinc/80/11/41/478801141.db2.gz JASFUJKLJWOMKZ-LJQANCHMSA-N 2 2 326.444 2.866 10 30 EFEELP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000097034495 472416853 /nfs/dbraw/zinc/41/68/53/472416853.db2.gz DKAPEEOCSYKIDC-FQEVSTJZSA-N 2 2 349.482 2.632 10 30 EFEELP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000097034495 472416858 /nfs/dbraw/zinc/41/68/58/472416858.db2.gz DKAPEEOCSYKIDC-FQEVSTJZSA-N 3 2 349.482 2.632 10 30 EFEELP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000069848779 472450798 /nfs/dbraw/zinc/45/07/98/472450798.db2.gz YCVMLBDAGKAGSZ-RDJZCZTQSA-N 2 2 343.475 2.560 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000105896516 472801585 /nfs/dbraw/zinc/80/15/85/472801585.db2.gz FBTSVPVTUBJAGE-KRWDZBQOSA-N 2 2 337.427 2.593 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000105896516 472801589 /nfs/dbraw/zinc/80/15/89/472801589.db2.gz FBTSVPVTUBJAGE-KRWDZBQOSA-N 2 2 337.427 2.593 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)n2c1 ZINC000123128930 473101107 /nfs/dbraw/zinc/10/11/07/473101107.db2.gz OKOITKIESIKFIZ-UHFFFAOYSA-N 2 2 345.450 2.960 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097067 473147244 /nfs/dbraw/zinc/14/72/44/473147244.db2.gz WXWULFAEQXNNAQ-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097067 473147249 /nfs/dbraw/zinc/14/72/49/473147249.db2.gz WXWULFAEQXNNAQ-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097067 473147255 /nfs/dbraw/zinc/14/72/55/473147255.db2.gz WXWULFAEQXNNAQ-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000081097067 473147260 /nfs/dbraw/zinc/14/72/60/473147260.db2.gz WXWULFAEQXNNAQ-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776736 474094734 /nfs/dbraw/zinc/09/47/34/474094734.db2.gz BWBNXXQJYBTRQG-MJGOQNOKSA-N 2 2 342.487 2.595 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776736 474094741 /nfs/dbraw/zinc/09/47/41/474094741.db2.gz BWBNXXQJYBTRQG-MJGOQNOKSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776736 474094744 /nfs/dbraw/zinc/09/47/44/474094744.db2.gz BWBNXXQJYBTRQG-MJGOQNOKSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000174776736 474094747 /nfs/dbraw/zinc/09/47/47/474094747.db2.gz BWBNXXQJYBTRQG-MJGOQNOKSA-N 2 2 342.487 2.595 10 30 EFEELP COC(=O)CCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289717867 474393962 /nfs/dbraw/zinc/39/39/62/474393962.db2.gz HAEGOJXJGGJQTH-UHFFFAOYSA-N 2 2 343.471 2.846 10 30 EFEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249914888 474624330 /nfs/dbraw/zinc/62/43/30/474624330.db2.gz XCVOUJCLLZOMLX-RDJZCZTQSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249914888 474624334 /nfs/dbraw/zinc/62/43/34/474624334.db2.gz XCVOUJCLLZOMLX-RDJZCZTQSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292251357 474923309 /nfs/dbraw/zinc/92/33/09/474923309.db2.gz XSADPSJLMOCXKK-SCLBCKFNSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292251357 474923320 /nfs/dbraw/zinc/92/33/20/474923320.db2.gz XSADPSJLMOCXKK-SCLBCKFNSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292251357 474923331 /nfs/dbraw/zinc/92/33/31/474923331.db2.gz XSADPSJLMOCXKK-SCLBCKFNSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292251357 474923339 /nfs/dbraw/zinc/92/33/39/474923339.db2.gz XSADPSJLMOCXKK-SCLBCKFNSA-N 2 2 346.862 2.566 10 30 EFEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328660243 475051888 /nfs/dbraw/zinc/05/18/88/475051888.db2.gz VAIORSHELGWQPJ-GVDBMIGSSA-N 2 2 345.491 2.542 10 30 EFEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328660243 475051892 /nfs/dbraw/zinc/05/18/92/475051892.db2.gz VAIORSHELGWQPJ-GVDBMIGSSA-N 2 2 345.491 2.542 10 30 EFEELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328660865 475051938 /nfs/dbraw/zinc/05/19/38/475051938.db2.gz WCPZBWPBINALAI-IRXDYDNUSA-N 2 2 347.507 2.647 10 30 EFEELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328660865 475051945 /nfs/dbraw/zinc/05/19/45/475051945.db2.gz WCPZBWPBINALAI-IRXDYDNUSA-N 2 2 347.507 2.647 10 30 EFEELP C[NH+](C)C1CCN(c2ccc(NCc3ccc(C#N)o3)[nH+]c2)CC1 ZINC000269114351 475178481 /nfs/dbraw/zinc/17/84/81/475178481.db2.gz DATUXYGXIGYRON-UHFFFAOYSA-N 2 2 325.416 2.689 10 30 EFEELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000330291827 475224419 /nfs/dbraw/zinc/22/44/19/475224419.db2.gz GSYGCIRJHTUMFD-JKSUJKDBSA-N 2 2 333.480 2.828 10 30 EFEELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000330291827 475224423 /nfs/dbraw/zinc/22/44/23/475224423.db2.gz GSYGCIRJHTUMFD-JKSUJKDBSA-N 2 2 333.480 2.828 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358582492 475786512 /nfs/dbraw/zinc/78/65/12/475786512.db2.gz ZZLRQWIMYSXSMB-FASAQXTFSA-N 2 2 331.435 2.726 10 30 EFEELP C=CCOc1ccccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000349038931 475898997 /nfs/dbraw/zinc/89/89/97/475898997.db2.gz VYFOVFOJUYBRKZ-UHFFFAOYSA-N 2 2 331.504 2.709 10 30 EFEELP C=CCOc1ccccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000349038931 475899007 /nfs/dbraw/zinc/89/90/07/475899007.db2.gz VYFOVFOJUYBRKZ-UHFFFAOYSA-N 2 2 331.504 2.709 10 30 EFEELP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000346956045 475988515 /nfs/dbraw/zinc/98/85/15/475988515.db2.gz CAUIAIOQUZKNMI-UHFFFAOYSA-N 2 2 349.906 2.882 10 30 EFEELP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000346956045 475988523 /nfs/dbraw/zinc/98/85/23/475988523.db2.gz CAUIAIOQUZKNMI-UHFFFAOYSA-N 2 2 349.906 2.882 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000298478730 476108114 /nfs/dbraw/zinc/10/81/14/476108114.db2.gz IZTAJFJOKDYMEI-FPOVZHCZSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000298478730 476108123 /nfs/dbraw/zinc/10/81/23/476108123.db2.gz IZTAJFJOKDYMEI-FPOVZHCZSA-N 2 2 348.450 2.922 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344145107 476164253 /nfs/dbraw/zinc/16/42/53/476164253.db2.gz TZVXDTJSFMXKDZ-IBGZPJMESA-N 2 2 333.520 2.775 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344145107 476164258 /nfs/dbraw/zinc/16/42/58/476164258.db2.gz TZVXDTJSFMXKDZ-IBGZPJMESA-N 2 2 333.520 2.775 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344145108 476164355 /nfs/dbraw/zinc/16/43/55/476164355.db2.gz TZVXDTJSFMXKDZ-LJQANCHMSA-N 2 2 333.520 2.775 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344145108 476164362 /nfs/dbraw/zinc/16/43/62/476164362.db2.gz TZVXDTJSFMXKDZ-LJQANCHMSA-N 2 2 333.520 2.775 10 30 EFEELP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)c1C ZINC000360023976 476284997 /nfs/dbraw/zinc/28/49/97/476284997.db2.gz TYKVFHBANQJFSJ-GFCCVEGCSA-N 2 2 341.415 2.698 10 30 EFEELP N#CCCN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374210842 476460905 /nfs/dbraw/zinc/46/09/05/476460905.db2.gz WSYNZWBEZPOHDL-UHFFFAOYSA-N 2 2 337.427 2.536 10 30 EFEELP Cc1ccc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000361061050 476575417 /nfs/dbraw/zinc/57/54/17/476575417.db2.gz YFIYHCVMXYDAPU-LJQANCHMSA-N 2 2 334.423 2.668 10 30 EFEELP CC1(C#N)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375365579 476800199 /nfs/dbraw/zinc/80/01/99/476800199.db2.gz ZZMCFEVPBZDJER-LJQANCHMSA-N 2 2 327.472 2.903 10 30 EFEELP CC1(C#N)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375365579 476800210 /nfs/dbraw/zinc/80/02/10/476800210.db2.gz ZZMCFEVPBZDJER-LJQANCHMSA-N 2 2 327.472 2.903 10 30 EFEELP CC1(C#N)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375365577 476800715 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EFEELP N#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000516476257 477938140 /nfs/dbraw/zinc/93/81/40/477938140.db2.gz QIPMZVSSNRXYEM-UHFFFAOYSA-N 2 2 337.383 2.938 10 30 EFEELP N#Cc1csc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000562205519 478220366 /nfs/dbraw/zinc/22/03/66/478220366.db2.gz GQNJLOXAOLAWQW-ZDUSSCGKSA-N 2 2 327.457 2.927 10 30 EFEELP N#Cc1csc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000562205519 478220368 /nfs/dbraw/zinc/22/03/68/478220368.db2.gz GQNJLOXAOLAWQW-ZDUSSCGKSA-N 2 2 327.457 2.927 10 30 EFEELP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764310 478228722 /nfs/dbraw/zinc/22/87/22/478228722.db2.gz GAGRQZOLIRVZBN-RDTXWAMCSA-N 2 2 338.411 2.624 10 30 EFEELP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764310 478228723 /nfs/dbraw/zinc/22/87/23/478228723.db2.gz GAGRQZOLIRVZBN-RDTXWAMCSA-N 2 2 338.411 2.624 10 30 EFEELP N#CCc1cccc2c1CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000600213714 478289295 /nfs/dbraw/zinc/28/92/95/478289295.db2.gz XXVQPTADAKXZJL-UHFFFAOYSA-N 2 2 329.407 2.892 10 30 EFEELP N#CCc1cccc2c1CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000600213714 478289300 /nfs/dbraw/zinc/28/93/00/478289300.db2.gz XXVQPTADAKXZJL-UHFFFAOYSA-N 2 2 329.407 2.892 10 30 EFEELP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000594444992 478393266 /nfs/dbraw/zinc/39/32/66/478393266.db2.gz HMAZQMSSEFTIFT-QGZVFWFLSA-N 2 2 349.438 2.952 10 30 EFEELP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000527298487 478420782 /nfs/dbraw/zinc/42/07/82/478420782.db2.gz JCUWLJNRTIFRCC-QZTJIDSGSA-N 2 2 346.519 2.525 10 30 EFEELP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000527298487 478420788 /nfs/dbraw/zinc/42/07/88/478420788.db2.gz JCUWLJNRTIFRCC-QZTJIDSGSA-N 2 2 346.519 2.525 10 30 EFEELP C[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600735798 478496332 /nfs/dbraw/zinc/49/63/32/478496332.db2.gz VQHXJENPQVTWAI-OALUTQOASA-N 2 2 327.472 2.685 10 30 EFEELP C[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000600735798 478496340 /nfs/dbraw/zinc/49/63/40/478496340.db2.gz VQHXJENPQVTWAI-OALUTQOASA-N 2 2 327.472 2.685 10 30 EFEELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000594967590 478610155 /nfs/dbraw/zinc/61/01/55/478610155.db2.gz UEKXXBUSFOFWAR-LJQANCHMSA-N 2 2 326.488 2.989 10 30 EFEELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000594967590 478610166 /nfs/dbraw/zinc/61/01/66/478610166.db2.gz UEKXXBUSFOFWAR-LJQANCHMSA-N 2 2 326.488 2.989 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000566486758 479092692 /nfs/dbraw/zinc/09/26/92/479092692.db2.gz IQHJZKOGQIUNPX-LJQANCHMSA-N 2 2 330.472 2.938 10 30 EFEELP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000566486758 479092700 /nfs/dbraw/zinc/09/27/00/479092700.db2.gz IQHJZKOGQIUNPX-LJQANCHMSA-N 2 2 330.472 2.938 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 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UKVVISCQARFWJR-HOCLYGCPSA-N 2 2 338.883 2.633 10 30 EFEELP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484104623 1252258221 /nfs/dbraw/zinc/25/82/21/1252258221.db2.gz VLQFMEGMYLRWRV-FQEVSTJZSA-N 2 2 345.487 2.651 10 30 EFEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001484350309 1252439640 /nfs/dbraw/zinc/43/96/40/1252439640.db2.gz HNWWDTALJVGIIM-IAGOWNOFSA-N 2 2 340.471 2.588 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001484466608 1252673760 /nfs/dbraw/zinc/67/37/60/1252673760.db2.gz ZKRBMSBABHLRNR-HOTGVXAUSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001484466608 1252673766 /nfs/dbraw/zinc/67/37/66/1252673766.db2.gz ZKRBMSBABHLRNR-HOTGVXAUSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466608 1252673775 /nfs/dbraw/zinc/67/37/75/1252673775.db2.gz ZKRBMSBABHLRNR-HOTGVXAUSA-N 2 2 341.927 2.782 10 30 EFEELP 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C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001484466610 1252674628 /nfs/dbraw/zinc/67/46/28/1252674628.db2.gz ZKRBMSBABHLRNR-JKSUJKDBSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001484466610 1252674636 /nfs/dbraw/zinc/67/46/36/1252674636.db2.gz ZKRBMSBABHLRNR-JKSUJKDBSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466610 1252674645 /nfs/dbraw/zinc/67/46/45/1252674645.db2.gz ZKRBMSBABHLRNR-JKSUJKDBSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466610 1252674655 /nfs/dbraw/zinc/67/46/55/1252674655.db2.gz ZKRBMSBABHLRNR-JKSUJKDBSA-N 2 2 341.927 2.782 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716393 1252791883 /nfs/dbraw/zinc/79/18/83/1252791883.db2.gz JOLHPYNVIOBAIA-FUHWJXTLSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716393 1252791894 /nfs/dbraw/zinc/79/18/94/1252791894.db2.gz JOLHPYNVIOBAIA-FUHWJXTLSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001670964741 1259124260 /nfs/dbraw/zinc/12/42/60/1259124260.db2.gz FTCDGCUGJNNMKH-KURKYZTESA-N 2 2 330.476 2.866 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001670964741 1259124263 /nfs/dbraw/zinc/12/42/63/1259124263.db2.gz FTCDGCUGJNNMKH-KURKYZTESA-N 2 2 330.476 2.866 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670965031 1259129992 /nfs/dbraw/zinc/12/99/92/1259129992.db2.gz MQQHWOSJJTZDRL-NXHRZFHOSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670965031 1259129996 /nfs/dbraw/zinc/12/99/96/1259129996.db2.gz MQQHWOSJJTZDRL-NXHRZFHOSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670965031 1259129999 /nfs/dbraw/zinc/12/99/99/1259129999.db2.gz MQQHWOSJJTZDRL-NXHRZFHOSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670965031 1259130003 /nfs/dbraw/zinc/13/00/03/1259130003.db2.gz MQQHWOSJJTZDRL-NXHRZFHOSA-N 2 2 330.476 2.620 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001670977271 1259258712 /nfs/dbraw/zinc/25/87/12/1259258712.db2.gz PAPJEKFHYZSYTD-MRXNPFEDSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001670977271 1259258714 /nfs/dbraw/zinc/25/87/14/1259258714.db2.gz PAPJEKFHYZSYTD-MRXNPFEDSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001670977271 1259258717 /nfs/dbraw/zinc/25/87/17/1259258717.db2.gz PAPJEKFHYZSYTD-MRXNPFEDSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001670977271 1259258720 /nfs/dbraw/zinc/25/87/20/1259258720.db2.gz PAPJEKFHYZSYTD-MRXNPFEDSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001486215465 1262814904 /nfs/dbraw/zinc/81/49/04/1262814904.db2.gz NNCWHTINNWKFSP-IAGOWNOFSA-N 2 2 340.471 2.636 10 30 EFEELP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001486491398 1263236632 /nfs/dbraw/zinc/23/66/32/1263236632.db2.gz UGLAKSFVCJNKLT-HNNXBMFYSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001486491398 1263236640 /nfs/dbraw/zinc/23/66/40/1263236640.db2.gz UGLAKSFVCJNKLT-HNNXBMFYSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272960937 1264112664 /nfs/dbraw/zinc/11/26/64/1264112664.db2.gz NASQTTNDNOELOL-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001691671345 1270446347 /nfs/dbraw/zinc/44/63/47/1270446347.db2.gz FDUFUCUDHVGZPD-INIZCTEOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819023830 1276593352 /nfs/dbraw/zinc/59/33/52/1276593352.db2.gz JZLXFKKECUVVFO-INIZCTEOSA-N 2 2 339.277 2.723 10 30 EFEELP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000883171110 1293490719 /nfs/dbraw/zinc/49/07/19/1293490719.db2.gz OPTKEZAOQXKVCR-QHAWAJNXSA-N 2 2 344.499 2.509 10 30 EFEELP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000883171110 1293490723 /nfs/dbraw/zinc/49/07/23/1293490723.db2.gz OPTKEZAOQXKVCR-QHAWAJNXSA-N 2 2 344.499 2.509 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001489071157 1298003953 /nfs/dbraw/zinc/00/39/53/1298003953.db2.gz FJERVLAJPIPCGK-SJLPKXTDSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440111 1298863331 /nfs/dbraw/zinc/86/33/31/1298863331.db2.gz KTKQEUKMWYZHHX-DLBZAZTESA-N 2 2 332.492 2.862 10 30 EFEELP 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C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001326492604 1330303778 /nfs/dbraw/zinc/30/37/78/1330303778.db2.gz JNQONBCHCOFOIM-NRFANRHFSA-N 2 2 349.478 2.671 10 30 EFEELP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001326492604 1330303781 /nfs/dbraw/zinc/30/37/81/1330303781.db2.gz JNQONBCHCOFOIM-NRFANRHFSA-N 2 2 349.478 2.671 10 30 EFEELP C=C(C)C[N@@H+]1CCc2c(CNC(=O)CCn3cc[nH+]c3)cccc2C1 ZINC001326674500 1330345510 /nfs/dbraw/zinc/34/55/10/1330345510.db2.gz JORXUJPTUFANPI-UHFFFAOYSA-N 2 2 338.455 2.524 10 30 EFEELP C=C(C)C[N@H+]1CCc2c(CNC(=O)CCn3cc[nH+]c3)cccc2C1 ZINC001326674500 1330345519 /nfs/dbraw/zinc/34/55/19/1330345519.db2.gz JORXUJPTUFANPI-UHFFFAOYSA-N 2 2 338.455 2.524 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001327173210 1330435914 /nfs/dbraw/zinc/43/59/14/1330435914.db2.gz OENRGJLACZBFNF-ZWKOTPCHSA-N 2 2 332.492 2.989 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001327173210 1330435920 /nfs/dbraw/zinc/43/59/20/1330435920.db2.gz OENRGJLACZBFNF-ZWKOTPCHSA-N 2 2 332.492 2.989 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327224837 1330444716 /nfs/dbraw/zinc/44/47/16/1330444716.db2.gz GXXLSSFLFIFJRL-SJORKVTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327224837 1330444718 /nfs/dbraw/zinc/44/47/18/1330444718.db2.gz GXXLSSFLFIFJRL-SJORKVTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327224836 1330444809 /nfs/dbraw/zinc/44/48/09/1330444809.db2.gz GXXLSSFLFIFJRL-IRXDYDNUSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327224836 1330444811 /nfs/dbraw/zinc/44/48/11/1330444811.db2.gz GXXLSSFLFIFJRL-IRXDYDNUSA-N 2 2 332.492 2.581 10 30 EFEELP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001327307908 1330456770 /nfs/dbraw/zinc/45/67/70/1330456770.db2.gz HCTVJHMFWMJAOE-OALUTQOASA-N 2 2 344.503 2.942 10 30 EFEELP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001327307908 1330456773 /nfs/dbraw/zinc/45/67/73/1330456773.db2.gz HCTVJHMFWMJAOE-OALUTQOASA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530018 1330496131 /nfs/dbraw/zinc/49/61/31/1330496131.db2.gz MYXSKROTMQGATO-UYAOXDASSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530018 1330496133 /nfs/dbraw/zinc/49/61/33/1330496133.db2.gz MYXSKROTMQGATO-UYAOXDASSA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001327578164 1330498652 /nfs/dbraw/zinc/49/86/52/1330498652.db2.gz SPHQZPNLNVPZES-FQEVSTJZSA-N 2 2 345.487 2.530 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001329742359 1330732915 /nfs/dbraw/zinc/73/29/15/1330732915.db2.gz MYTANOYSCBOYJZ-MJGOQNOKSA-N 2 2 346.519 2.874 10 30 EFEELP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001331031218 1330785777 /nfs/dbraw/zinc/78/57/77/1330785777.db2.gz VJYLISHKDQJQOL-SFHVURJKSA-N 2 2 332.492 2.969 10 30 EFEELP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001331031218 1330785779 /nfs/dbraw/zinc/78/57/79/1330785779.db2.gz VJYLISHKDQJQOL-SFHVURJKSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001331060218 1330789889 /nfs/dbraw/zinc/78/98/89/1330789889.db2.gz SFKUMTVGXKXAKD-HOTGVXAUSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001331060218 1330789892 /nfs/dbraw/zinc/78/98/92/1330789892.db2.gz SFKUMTVGXKXAKD-HOTGVXAUSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331060218 1330789894 /nfs/dbraw/zinc/78/98/94/1330789894.db2.gz SFKUMTVGXKXAKD-HOTGVXAUSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331060218 1330789897 /nfs/dbraw/zinc/78/98/97/1330789897.db2.gz SFKUMTVGXKXAKD-HOTGVXAUSA-N 2 2 332.492 2.866 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001332114143 1330922603 /nfs/dbraw/zinc/92/26/03/1330922603.db2.gz VJUFKQQETBSSCS-SZVBFZGTSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001332114143 1330922607 /nfs/dbraw/zinc/92/26/07/1330922607.db2.gz VJUFKQQETBSSCS-SZVBFZGTSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001332114143 1330922608 /nfs/dbraw/zinc/92/26/08/1330922608.db2.gz VJUFKQQETBSSCS-SZVBFZGTSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001332114143 1330922611 /nfs/dbraw/zinc/92/26/11/1330922611.db2.gz VJUFKQQETBSSCS-SZVBFZGTSA-N 2 2 330.476 2.668 10 30 EFEELP CC#CC[N@@H+](C)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)C ZINC001332708201 1331007015 /nfs/dbraw/zinc/00/70/15/1331007015.db2.gz WACYOOADDYQQKC-QGZVFWFLSA-N 2 2 332.492 2.589 10 30 EFEELP CC#CC[N@H+](C)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)C ZINC001332708201 1331007019 /nfs/dbraw/zinc/00/70/19/1331007019.db2.gz WACYOOADDYQQKC-QGZVFWFLSA-N 2 2 332.492 2.589 10 30 EFEELP C#CC[N@H+](C[C@H]1CCCCO1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001349700856 1332986292 /nfs/dbraw/zinc/98/62/92/1332986292.db2.gz SXXPUSKKUXIHSW-WOJBJXKFSA-N 2 2 334.504 2.524 10 30 EFEELP C#CC[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001349700856 1332986295 /nfs/dbraw/zinc/98/62/95/1332986295.db2.gz SXXPUSKKUXIHSW-WOJBJXKFSA-N 2 2 334.504 2.524 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703069 1337893542 /nfs/dbraw/zinc/89/35/42/1337893542.db2.gz FZPBZXUKWDCPGI-SJLPKXTDSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703069 1337893546 /nfs/dbraw/zinc/89/35/46/1337893546.db2.gz FZPBZXUKWDCPGI-SJLPKXTDSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001366703069 1337893548 /nfs/dbraw/zinc/89/35/48/1337893548.db2.gz FZPBZXUKWDCPGI-SJLPKXTDSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001366703069 1337893553 /nfs/dbraw/zinc/89/35/53/1337893553.db2.gz FZPBZXUKWDCPGI-SJLPKXTDSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001368402837 1339341094 /nfs/dbraw/zinc/34/10/94/1339341094.db2.gz AXAJFMKVBYYCPV-KRWDZBQOSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001368402837 1339341100 /nfs/dbraw/zinc/34/11/00/1339341100.db2.gz AXAJFMKVBYYCPV-KRWDZBQOSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001368402837 1339341104 /nfs/dbraw/zinc/34/11/04/1339341104.db2.gz AXAJFMKVBYYCPV-KRWDZBQOSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001368402837 1339341109 /nfs/dbraw/zinc/34/11/09/1339341109.db2.gz AXAJFMKVBYYCPV-KRWDZBQOSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001375689464 1342931008 /nfs/dbraw/zinc/93/10/08/1342931008.db2.gz GTDWJSPYGYZZJK-HNNXBMFYSA-N 2 2 338.883 2.633 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001375689464 1342931010 /nfs/dbraw/zinc/93/10/10/1342931010.db2.gz GTDWJSPYGYZZJK-HNNXBMFYSA-N 2 2 338.883 2.633 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001379723610 1347286912 /nfs/dbraw/zinc/28/69/12/1347286912.db2.gz LUCXTKAUMCXVBM-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001379723610 1347286916 /nfs/dbraw/zinc/28/69/16/1347286916.db2.gz LUCXTKAUMCXVBM-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001379723610 1347286919 /nfs/dbraw/zinc/28/69/19/1347286919.db2.gz LUCXTKAUMCXVBM-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001379723610 1347286922 /nfs/dbraw/zinc/28/69/22/1347286922.db2.gz LUCXTKAUMCXVBM-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001381515779 1348324725 /nfs/dbraw/zinc/32/47/25/1348324725.db2.gz KYVQFTYBXNABPD-HZPDHXFCSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001381515779 1348324728 /nfs/dbraw/zinc/32/47/28/1348324728.db2.gz KYVQFTYBXNABPD-HZPDHXFCSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001381515779 1348324733 /nfs/dbraw/zinc/32/47/33/1348324733.db2.gz KYVQFTYBXNABPD-HZPDHXFCSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001381515779 1348324737 /nfs/dbraw/zinc/32/47/37/1348324737.db2.gz KYVQFTYBXNABPD-HZPDHXFCSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001399869634 1361539286 /nfs/dbraw/zinc/53/92/86/1361539286.db2.gz PMIUMDIKMYSLET-MRXNPFEDSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001399869634 1361539291 /nfs/dbraw/zinc/53/92/91/1361539291.db2.gz PMIUMDIKMYSLET-MRXNPFEDSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001399869634 1361539296 /nfs/dbraw/zinc/53/92/96/1361539296.db2.gz PMIUMDIKMYSLET-MRXNPFEDSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001399869634 1361539298 /nfs/dbraw/zinc/53/92/98/1361539298.db2.gz PMIUMDIKMYSLET-MRXNPFEDSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001400709057 1362111925 /nfs/dbraw/zinc/11/19/25/1362111925.db2.gz VLXSYURLEZBCGU-CABCVRRESA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001400709057 1362111927 /nfs/dbraw/zinc/11/19/27/1362111927.db2.gz VLXSYURLEZBCGU-CABCVRRESA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001400709062 1362112089 /nfs/dbraw/zinc/11/20/89/1362112089.db2.gz VLXSYURLEZBCGU-GJZGRUSLSA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001400709062 1362112092 /nfs/dbraw/zinc/11/20/92/1362112092.db2.gz VLXSYURLEZBCGU-GJZGRUSLSA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001404014739 1365168679 /nfs/dbraw/zinc/16/86/79/1365168679.db2.gz YKBZCZHTMOZVKX-JKSUJKDBSA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001404380978 1365485984 /nfs/dbraw/zinc/48/59/84/1365485984.db2.gz QJLCGGWMHFTUSC-GJZGRUSLSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001407514163 1368928096 /nfs/dbraw/zinc/92/80/96/1368928096.db2.gz PXZMMGWFXVBFDA-GOSISDBHSA-N 2 2 349.906 2.844 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001419410883 1375237381 /nfs/dbraw/zinc/23/73/81/1375237381.db2.gz LRKWCNZOTVGHKY-CVEARBPZSA-N 2 2 338.883 2.803 10 30 EFEELP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001422483746 1380178334 /nfs/dbraw/zinc/17/83/34/1380178334.db2.gz VWWHLMXBWZSCAU-INIZCTEOSA-N 2 2 345.491 2.580 10 30 EFEELP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001422483746 1380178339 /nfs/dbraw/zinc/17/83/39/1380178339.db2.gz VWWHLMXBWZSCAU-INIZCTEOSA-N 2 2 345.491 2.580 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001422555178 1380310829 /nfs/dbraw/zinc/31/08/29/1380310829.db2.gz VNQOHIXXIHGQCU-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001422555178 1380310832 /nfs/dbraw/zinc/31/08/32/1380310832.db2.gz VNQOHIXXIHGQCU-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001422555178 1380310834 /nfs/dbraw/zinc/31/08/34/1380310834.db2.gz VNQOHIXXIHGQCU-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001422555178 1380310837 /nfs/dbraw/zinc/31/08/37/1380310837.db2.gz VNQOHIXXIHGQCU-DOTOQJQBSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001423582729 1382113708 /nfs/dbraw/zinc/11/37/08/1382113708.db2.gz RFOLMXFZVQQMOD-UHFFFAOYSA-N 2 2 329.916 2.640 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001423582729 1382113713 /nfs/dbraw/zinc/11/37/13/1382113713.db2.gz RFOLMXFZVQQMOD-UHFFFAOYSA-N 2 2 329.916 2.640 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001424061794 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EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001479710852 1397775127 /nfs/dbraw/zinc/77/51/27/1397775127.db2.gz JTKBBHFHLXMFEE-AOIWGVFYSA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001479710852 1397775130 /nfs/dbraw/zinc/77/51/30/1397775130.db2.gz JTKBBHFHLXMFEE-AOIWGVFYSA-N 2 2 344.503 2.771 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001479734923 1397788348 /nfs/dbraw/zinc/78/83/48/1397788348.db2.gz LRUKTOFYFABBRQ-JKSUJKDBSA-N 2 2 347.906 2.732 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001479734923 1397788350 /nfs/dbraw/zinc/78/83/50/1397788350.db2.gz LRUKTOFYFABBRQ-JKSUJKDBSA-N 2 2 347.906 2.732 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744771 1397801072 /nfs/dbraw/zinc/80/10/72/1397801072.db2.gz IDKJMFVCFKERHS-HOTGVXAUSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744771 1397801073 /nfs/dbraw/zinc/80/10/73/1397801073.db2.gz IDKJMFVCFKERHS-HOTGVXAUSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001479747174 1397807054 /nfs/dbraw/zinc/80/70/54/1397807054.db2.gz AQDKJECQJGGGSP-IRXDYDNUSA-N 2 2 332.492 2.845 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001479747174 1397807062 /nfs/dbraw/zinc/80/70/62/1397807062.db2.gz AQDKJECQJGGGSP-IRXDYDNUSA-N 2 2 332.492 2.845 10 30 EFEELP C=C(Cl)C[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001479868278 1397976544 /nfs/dbraw/zinc/97/65/44/1397976544.db2.gz BZUOUPDNPTYBIQ-UHFFFAOYSA-N 2 2 346.862 2.980 10 30 EFEELP C=C(Cl)C[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001479868278 1397976547 /nfs/dbraw/zinc/97/65/47/1397976547.db2.gz BZUOUPDNPTYBIQ-UHFFFAOYSA-N 2 2 346.862 2.980 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493211973 1398536981 /nfs/dbraw/zinc/53/69/81/1398536981.db2.gz BTMOYUGAHJJVPN-QZTJIDSGSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493211973 1398536983 /nfs/dbraw/zinc/53/69/83/1398536983.db2.gz BTMOYUGAHJJVPN-QZTJIDSGSA-N 2 2 332.492 2.875 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001507369771 1406965139 /nfs/dbraw/zinc/96/51/39/1406965139.db2.gz VXJLUABDHFYFJB-CEXWTWQISA-N 2 2 344.503 2.846 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001493839535 1398915678 /nfs/dbraw/zinc/91/56/78/1398915678.db2.gz IQKFHBOKHAGVIY-TZMCWYRMSA-N 2 2 338.883 2.558 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001493839535 1398915680 /nfs/dbraw/zinc/91/56/80/1398915680.db2.gz IQKFHBOKHAGVIY-TZMCWYRMSA-N 2 2 338.883 2.558 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001507397524 1407009306 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WVNKUOVXBISSOD-KXBFYZLASA-N 2 2 332.492 2.882 10 30 EFEELP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001495521876 1400053156 /nfs/dbraw/zinc/05/31/56/1400053156.db2.gz ZTZCUYSZLYMMTP-IAGOWNOFSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001495521876 1400053163 /nfs/dbraw/zinc/05/31/63/1400053163.db2.gz ZTZCUYSZLYMMTP-IAGOWNOFSA-N 2 2 330.476 2.698 10 30 EFEELP C=CC[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001495522586 1400053986 /nfs/dbraw/zinc/05/39/86/1400053986.db2.gz AIQFAJZANGDCSD-UHFFFAOYSA-N 2 2 338.455 2.890 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001496312773 1400628703 /nfs/dbraw/zinc/62/87/03/1400628703.db2.gz SPFMNVTWTCDWTP-GOSISDBHSA-N 2 2 344.503 2.605 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001496312816 1400628739 /nfs/dbraw/zinc/62/87/39/1400628739.db2.gz UGYXHTWCIYWPKH-QZTJIDSGSA-N 2 2 344.503 2.676 10 30 EFEELP C=CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001496504402 1400778671 /nfs/dbraw/zinc/77/86/71/1400778671.db2.gz DXMGBBKOHMISHA-UHFFFAOYSA-N 2 2 332.492 2.673 10 30 EFEELP C=CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001496504402 1400778674 /nfs/dbraw/zinc/77/86/74/1400778674.db2.gz DXMGBBKOHMISHA-UHFFFAOYSA-N 2 2 332.492 2.673 10 30 EFEELP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001496510214 1400785304 /nfs/dbraw/zinc/78/53/04/1400785304.db2.gz FJUKGFQSRGXYEU-INIZCTEOSA-N 2 2 332.492 2.725 10 30 EFEELP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001496510214 1400785306 /nfs/dbraw/zinc/78/53/06/1400785306.db2.gz FJUKGFQSRGXYEU-INIZCTEOSA-N 2 2 332.492 2.725 10 30 EFEELP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001496510214 1400785311 /nfs/dbraw/zinc/78/53/11/1400785311.db2.gz FJUKGFQSRGXYEU-INIZCTEOSA-N 2 2 332.492 2.725 10 30 EFEELP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001496510214 1400785315 /nfs/dbraw/zinc/78/53/15/1400785315.db2.gz FJUKGFQSRGXYEU-INIZCTEOSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001499480694 1402634872 /nfs/dbraw/zinc/63/48/72/1402634872.db2.gz INGBBUBRRWUXFE-MJGOQNOKSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001499480694 1402634875 /nfs/dbraw/zinc/63/48/75/1402634875.db2.gz INGBBUBRRWUXFE-MJGOQNOKSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001499614452 1402719239 /nfs/dbraw/zinc/71/92/39/1402719239.db2.gz NOWRIWNBWHLTMS-FQEVSTJZSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001499614452 1402719245 /nfs/dbraw/zinc/71/92/45/1402719245.db2.gz NOWRIWNBWHLTMS-FQEVSTJZSA-N 2 2 344.503 2.944 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC001500059828 1402917915 /nfs/dbraw/zinc/91/79/15/1402917915.db2.gz IREUMGFMTRKKHD-FQEVSTJZSA-N 2 2 346.434 2.507 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001500103001 1402938634 /nfs/dbraw/zinc/93/86/34/1402938634.db2.gz XPETYOPYYVMZCT-GOSISDBHSA-N 2 2 327.472 2.908 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001500433909 1403119801 /nfs/dbraw/zinc/11/98/01/1403119801.db2.gz OXMKNHITPFVTCY-QGZVFWFLSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001500505303 1403177572 /nfs/dbraw/zinc/17/75/72/1403177572.db2.gz MKPGFRQMIUTKMW-FXAWDEMLSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001500505303 1403177578 /nfs/dbraw/zinc/17/75/78/1403177578.db2.gz MKPGFRQMIUTKMW-FXAWDEMLSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001501171925 1403473983 /nfs/dbraw/zinc/47/39/83/1403473983.db2.gz KJDYQFMOLUOQKB-DKKFBQAASA-N 2 2 344.503 2.914 10 30 EFEELP 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334.508 2.856 10 30 EFEELP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001567625121 1416214993 /nfs/dbraw/zinc/21/49/93/1416214993.db2.gz OQQIMLGMYGUUJF-HNNXBMFYSA-N 2 2 326.444 2.659 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001567684872 1416247197 /nfs/dbraw/zinc/24/71/97/1416247197.db2.gz PRAASKLWQAXHGZ-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001567684872 1416247201 /nfs/dbraw/zinc/24/72/01/1416247201.db2.gz PRAASKLWQAXHGZ-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001567737436 1416265368 /nfs/dbraw/zinc/26/53/68/1416265368.db2.gz BAHRQUCUJFJZCS-IBGZPJMESA-N 2 2 343.515 2.761 10 30 EFEELP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001567737436 1416265372 /nfs/dbraw/zinc/26/53/72/1416265372.db2.gz BAHRQUCUJFJZCS-IBGZPJMESA-N 2 2 343.515 2.761 10 30 EFEELP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001567748175 1416270656 /nfs/dbraw/zinc/27/06/56/1416270656.db2.gz BCLNIGCMGGGHQQ-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001567748175 1416270659 /nfs/dbraw/zinc/27/06/59/1416270659.db2.gz BCLNIGCMGGGHQQ-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001568130094 1416420822 /nfs/dbraw/zinc/42/08/22/1416420822.db2.gz NJNUEFKYMFKOAZ-QZTJIDSGSA-N 2 2 344.503 2.708 10 30 EFEELP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001568155648 1416427925 /nfs/dbraw/zinc/42/79/25/1416427925.db2.gz WUPNMIJNBPUKAC-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001568155648 1416427930 /nfs/dbraw/zinc/42/79/30/1416427930.db2.gz WUPNMIJNBPUKAC-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001568155648 1416427933 /nfs/dbraw/zinc/42/79/33/1416427933.db2.gz WUPNMIJNBPUKAC-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001568155648 1416427936 /nfs/dbraw/zinc/42/79/36/1416427936.db2.gz WUPNMIJNBPUKAC-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001568253396 1416456374 /nfs/dbraw/zinc/45/63/74/1416456374.db2.gz CYJHQDOCKOLULC-UHFFFAOYSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001568423490 1416527169 /nfs/dbraw/zinc/52/71/69/1416527169.db2.gz IDMDBQOBYMZPMZ-AEFFLSMTSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690718343 1417230039 /nfs/dbraw/zinc/23/00/39/1417230039.db2.gz GBMZIVJURYJNTF-CABCVRRESA-N 2 2 326.444 2.969 10 30 EFEELP C#CC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001691792224 1417247937 /nfs/dbraw/zinc/24/79/37/1417247937.db2.gz LUCVGTNPTWMXGE-FQEVSTJZSA-N 2 2 344.418 2.566 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001699014709 1417368603 /nfs/dbraw/zinc/36/86/03/1417368603.db2.gz IHJZKGASBBZMBI-MSOLQXFVSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001699014709 1417368607 /nfs/dbraw/zinc/36/86/07/1417368607.db2.gz IHJZKGASBBZMBI-MSOLQXFVSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001699979978 1417535822 /nfs/dbraw/zinc/53/58/22/1417535822.db2.gz YAHAHOXTIQTJPI-KZNAEPCWSA-N 2 2 344.503 2.534 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001700095338 1417566327 /nfs/dbraw/zinc/56/63/27/1417566327.db2.gz XURUHAHFXIOVKV-CRAIPNDOSA-N 2 2 338.455 2.599 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001700095339 1417566357 /nfs/dbraw/zinc/56/63/57/1417566357.db2.gz XURUHAHFXIOVKV-MAUKXSAKSA-N 2 2 338.455 2.599 10 30 EFEELP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001700867054 1417667669 /nfs/dbraw/zinc/66/76/69/1417667669.db2.gz KZLLJOWBIMLSRZ-YXJHDRRASA-N 2 2 338.455 2.969 10 30 EFEELP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001713162590 1418346715 /nfs/dbraw/zinc/34/67/15/1418346715.db2.gz JKKRDGIPSAVFIZ-ULQDDVLXSA-N 2 2 332.492 2.653 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001713170960 1418350647 /nfs/dbraw/zinc/35/06/47/1418350647.db2.gz VEYCAGAKABQCTO-ULQDDVLXSA-N 2 2 340.471 2.777 10 30 EFEELP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001713184714 1418364673 /nfs/dbraw/zinc/36/46/73/1418364673.db2.gz OGCQBCCOKSSRAW-MSOLQXFVSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001713184714 1418364679 /nfs/dbraw/zinc/36/46/79/1418364679.db2.gz OGCQBCCOKSSRAW-MSOLQXFVSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001713184717 1418365451 /nfs/dbraw/zinc/36/54/51/1418365451.db2.gz OGCQBCCOKSSRAW-ZWKOTPCHSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001713184717 1418365458 /nfs/dbraw/zinc/36/54/58/1418365458.db2.gz OGCQBCCOKSSRAW-ZWKOTPCHSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713720918 1418572082 /nfs/dbraw/zinc/57/20/82/1418572082.db2.gz GFARIMVPDQRFLX-RDJZCZTQSA-N 2 2 332.492 2.928 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713720918 1418572084 /nfs/dbraw/zinc/57/20/84/1418572084.db2.gz GFARIMVPDQRFLX-RDJZCZTQSA-N 2 2 332.492 2.928 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001714322312 1418601272 /nfs/dbraw/zinc/60/12/72/1418601272.db2.gz VSLVDOGIQSPNDZ-MRXNPFEDSA-N 2 2 326.444 2.816 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001714570205 1418609160 /nfs/dbraw/zinc/60/91/60/1418609160.db2.gz WDNVDAJUURPFSO-MRXNPFEDSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001714570205 1418609165 /nfs/dbraw/zinc/60/91/65/1418609165.db2.gz WDNVDAJUURPFSO-MRXNPFEDSA-N 2 2 328.460 2.588 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001715407694 1418672555 /nfs/dbraw/zinc/67/25/55/1418672555.db2.gz AJNVFWKJTCZKOP-AEFFLSMTSA-N 2 2 344.503 2.555 10 30 EFEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001716806479 1419021238 /nfs/dbraw/zinc/02/12/38/1419021238.db2.gz BIPRJWGVRYRFRR-WAYWQWQTSA-N 2 2 342.487 2.625 10 30 EFEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001716806479 1419021240 /nfs/dbraw/zinc/02/12/40/1419021240.db2.gz BIPRJWGVRYRFRR-WAYWQWQTSA-N 2 2 342.487 2.625 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001716819650 1419030387 /nfs/dbraw/zinc/03/03/87/1419030387.db2.gz DLTHJRURVUETGI-INIZCTEOSA-N 2 2 326.444 2.789 10 30 EFEELP C=CCCC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001716885164 1419074788 /nfs/dbraw/zinc/07/47/88/1419074788.db2.gz HFMMTNHRIFSNOK-UHFFFAOYSA-N 2 2 345.487 2.817 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001717041253 1419175633 /nfs/dbraw/zinc/17/56/33/1419175633.db2.gz WPMYXGKZNJJNFS-FGTMMUONSA-N 2 2 330.476 2.551 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001717041253 1419175635 /nfs/dbraw/zinc/17/56/35/1419175635.db2.gz WPMYXGKZNJJNFS-FGTMMUONSA-N 2 2 330.476 2.551 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001717129245 1419228373 /nfs/dbraw/zinc/22/83/73/1419228373.db2.gz CTJLGGCNZIINOA-KRWDZBQOSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717197129 1419259382 /nfs/dbraw/zinc/25/93/82/1419259382.db2.gz TYWAGSRNZFBYMK-INIZCTEOSA-N 2 2 326.444 2.885 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717197129 1419259385 /nfs/dbraw/zinc/25/93/85/1419259385.db2.gz TYWAGSRNZFBYMK-INIZCTEOSA-N 2 2 326.444 2.885 10 30 EFEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001717241247 1419283047 /nfs/dbraw/zinc/28/30/47/1419283047.db2.gz DAWDRCJKCMDYHF-UHFFFAOYSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001717241691 1419283378 /nfs/dbraw/zinc/28/33/78/1419283378.db2.gz VUIMCFMIVBMFGU-UHFFFAOYSA-N 2 2 332.492 2.680 10 30 EFEELP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001717514596 1419422647 /nfs/dbraw/zinc/42/26/47/1419422647.db2.gz UPDYNTQVOZBVGM-ZWKOTPCHSA-N 2 2 346.519 2.874 10 30 EFEELP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717537378 1419433420 /nfs/dbraw/zinc/43/34/20/1419433420.db2.gz CPCNYDXZAMBEKL-QGZVFWFLSA-N 2 2 332.492 2.864 10 30 EFEELP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717537378 1419433422 /nfs/dbraw/zinc/43/34/22/1419433422.db2.gz CPCNYDXZAMBEKL-QGZVFWFLSA-N 2 2 332.492 2.864 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717538256 1419434113 /nfs/dbraw/zinc/43/41/13/1419434113.db2.gz PFTCICWHXKHXAX-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717538256 1419434114 /nfs/dbraw/zinc/43/41/14/1419434114.db2.gz PFTCICWHXKHXAX-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001717552164 1419440853 /nfs/dbraw/zinc/44/08/53/1419440853.db2.gz FUKOUUQVEPRGGI-IAGOWNOFSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001717588279 1419458886 /nfs/dbraw/zinc/45/88/86/1419458886.db2.gz XAEGJJXAWBNVDK-QGZVFWFLSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001717588279 1419458887 /nfs/dbraw/zinc/45/88/87/1419458887.db2.gz XAEGJJXAWBNVDK-QGZVFWFLSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001717701756 1419515818 /nfs/dbraw/zinc/51/58/18/1419515818.db2.gz MBTQTJSLFKDCFN-DLBZAZTESA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001717701756 1419515819 /nfs/dbraw/zinc/51/58/19/1419515819.db2.gz MBTQTJSLFKDCFN-DLBZAZTESA-N 2 2 344.503 2.723 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001717835623 1419565781 /nfs/dbraw/zinc/56/57/81/1419565781.db2.gz BYNSPRRATPBREK-ILZDJORESA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001717835623 1419565783 /nfs/dbraw/zinc/56/57/83/1419565783.db2.gz BYNSPRRATPBREK-ILZDJORESA-N 2 2 342.487 2.525 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC001717898572 1419608569 /nfs/dbraw/zinc/60/85/69/1419608569.db2.gz ZBHLUIVFOWXPIS-HOTGVXAUSA-N 2 2 332.492 2.534 10 30 EFEELP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001723649551 1424547541 /nfs/dbraw/zinc/54/75/41/1424547541.db2.gz QOLDVAKSTLUXTH-UHFFFAOYSA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001723649551 1424547547 /nfs/dbraw/zinc/54/75/47/1424547547.db2.gz QOLDVAKSTLUXTH-UHFFFAOYSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001723699558 1424561753 /nfs/dbraw/zinc/56/17/53/1424561753.db2.gz MYYCAKWOQGUCCY-KRWDZBQOSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721181 1424568447 /nfs/dbraw/zinc/56/84/47/1424568447.db2.gz JNVCTAQSSMVZCV-MJGOQNOKSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721181 1424568453 /nfs/dbraw/zinc/56/84/53/1424568453.db2.gz JNVCTAQSSMVZCV-MJGOQNOKSA-N 2 2 330.476 2.725 10 30 EFEELP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001723813443 1424583000 /nfs/dbraw/zinc/58/30/00/1424583000.db2.gz QDKVPOAYXQWBIT-IBGZPJMESA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001723813443 1424583005 /nfs/dbraw/zinc/58/30/05/1424583005.db2.gz QDKVPOAYXQWBIT-IBGZPJMESA-N 2 2 329.488 2.788 10 30 EFEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CC2CCC2)CC1 ZINC001724058450 1424639777 /nfs/dbraw/zinc/63/97/77/1424639777.db2.gz OAYCSKCCRDFFHE-KRWDZBQOSA-N 2 2 342.487 2.561 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001724083417 1424649471 /nfs/dbraw/zinc/64/94/71/1424649471.db2.gz FLWIVBLGAVAOGY-ZACQAIPSSA-N 2 2 330.476 2.744 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001724083417 1424649479 /nfs/dbraw/zinc/64/94/79/1424649479.db2.gz FLWIVBLGAVAOGY-ZACQAIPSSA-N 2 2 330.476 2.744 10 30 EFEELP CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CCCC1 ZINC001724084950 1424651149 /nfs/dbraw/zinc/65/11/49/1424651149.db2.gz NQGDZSCULSROCB-OALUTQOASA-N 2 2 344.503 2.758 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724172289 1424688190 /nfs/dbraw/zinc/68/81/90/1424688190.db2.gz BHSQEBWMDXUYHW-HLIPFELVSA-N 2 2 344.503 2.851 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724172289 1424688191 /nfs/dbraw/zinc/68/81/91/1424688191.db2.gz BHSQEBWMDXUYHW-HLIPFELVSA-N 2 2 344.503 2.851 10 30 EFEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001724624679 1424850662 /nfs/dbraw/zinc/85/06/62/1424850662.db2.gz ZOGXEPVRBBRIMQ-HDICACEKSA-N 2 2 332.492 2.634 10 30 EFEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001724624679 1424850664 /nfs/dbraw/zinc/85/06/64/1424850664.db2.gz ZOGXEPVRBBRIMQ-HDICACEKSA-N 2 2 332.492 2.634 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001724632469 1424856206 /nfs/dbraw/zinc/85/62/06/1424856206.db2.gz XBNQNUMZQTUOBO-KURKYZTESA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001724632469 1424856220 /nfs/dbraw/zinc/85/62/20/1424856220.db2.gz XBNQNUMZQTUOBO-KURKYZTESA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001724632469 1424856228 /nfs/dbraw/zinc/85/62/28/1424856228.db2.gz XBNQNUMZQTUOBO-KURKYZTESA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001724632469 1424856234 /nfs/dbraw/zinc/85/62/34/1424856234.db2.gz XBNQNUMZQTUOBO-KURKYZTESA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001724780369 1425008434 /nfs/dbraw/zinc/00/84/34/1425008434.db2.gz CGMGAHRQNUCORU-SJLPKXTDSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001724890356 1425103889 /nfs/dbraw/zinc/10/38/89/1425103889.db2.gz WTDSWJITQBJHBD-MRXNPFEDSA-N 2 2 332.492 2.915 10 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YIRLEGKUAKWXEC-SFHVURJKSA-N 2 2 340.471 2.742 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001725225199 1425391523 /nfs/dbraw/zinc/39/15/23/1425391523.db2.gz YXJKQJHLHFMZTD-HZPDHXFCSA-N 2 2 330.476 2.888 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001725225199 1425391530 /nfs/dbraw/zinc/39/15/30/1425391530.db2.gz YXJKQJHLHFMZTD-HZPDHXFCSA-N 2 2 330.476 2.888 10 30 EFEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001725228951 1425392554 /nfs/dbraw/zinc/39/25/54/1425392554.db2.gz JYNRECNGLLIUGX-MRXNPFEDSA-N 2 2 332.492 2.963 10 30 EFEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001725228951 1425392560 /nfs/dbraw/zinc/39/25/60/1425392560.db2.gz JYNRECNGLLIUGX-MRXNPFEDSA-N 2 2 332.492 2.963 10 30 EFEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001725228949 1425392817 /nfs/dbraw/zinc/39/28/17/1425392817.db2.gz JYNRECNGLLIUGX-INIZCTEOSA-N 2 2 332.492 2.963 10 30 EFEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001725228949 1425392824 /nfs/dbraw/zinc/39/28/24/1425392824.db2.gz JYNRECNGLLIUGX-INIZCTEOSA-N 2 2 332.492 2.963 10 30 EFEELP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001725604512 1425693387 /nfs/dbraw/zinc/69/33/87/1425693387.db2.gz RIUBNCVVBIQMCA-IRXDYDNUSA-N 2 2 340.471 2.730 10 30 EFEELP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001725611678 1425702830 /nfs/dbraw/zinc/70/28/30/1425702830.db2.gz YSECTRLCZWPQTK-NLWGTHIKSA-N 2 2 342.487 2.607 10 30 EFEELP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001725611678 1425702840 /nfs/dbraw/zinc/70/28/40/1425702840.db2.gz YSECTRLCZWPQTK-NLWGTHIKSA-N 2 2 342.487 2.607 10 30 EFEELP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001725611680 1425703341 /nfs/dbraw/zinc/70/33/41/1425703341.db2.gz YSECTRLCZWPQTK-WSTZPKSXSA-N 2 2 342.487 2.607 10 30 EFEELP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001725611680 1425703347 /nfs/dbraw/zinc/70/33/47/1425703347.db2.gz YSECTRLCZWPQTK-WSTZPKSXSA-N 2 2 342.487 2.607 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725825002 1425887095 /nfs/dbraw/zinc/88/70/95/1425887095.db2.gz CQKVYVYXEUGULI-IRXDYDNUSA-N 2 2 330.476 2.937 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725825002 1425887100 /nfs/dbraw/zinc/88/71/00/1425887100.db2.gz CQKVYVYXEUGULI-IRXDYDNUSA-N 2 2 330.476 2.937 10 30 EFEELP CC[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894468783 722748066 /nfs/dbraw/zinc/74/80/66/722748066.db2.gz CWRVUXPQNFCHSC-ZDUSSCGKSA-N 2 2 325.359 2.852 10 30 EFEELP CC[C@H](CC#N)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894468782 722748182 /nfs/dbraw/zinc/74/81/82/722748182.db2.gz CWRVUXPQNFCHSC-CYBMUJFWSA-N 2 2 325.359 2.852 10 30 EFEELP C=CC[NH+](CC=C)[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C 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C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481732852 1096452374 /nfs/dbraw/zinc/45/23/74/1096452374.db2.gz XECFXVAHYFIXSK-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482018562 1097092871 /nfs/dbraw/zinc/09/28/71/1097092871.db2.gz PYSUHKZVJCEWCH-XMTFNYHQSA-N 2 2 344.503 2.817 10 30 EFEELP C=C(C)CC[N@H+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001492995038 1097211755 /nfs/dbraw/zinc/21/17/55/1097211755.db2.gz DZXUASRNLLSHPG-UHFFFAOYSA-N 2 2 326.444 2.890 10 30 EFEELP C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001492995038 1097211759 /nfs/dbraw/zinc/21/17/59/1097211759.db2.gz DZXUASRNLLSHPG-UHFFFAOYSA-N 2 2 326.444 2.890 10 30 EFEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001268955928 1097744728 /nfs/dbraw/zinc/74/47/28/1097744728.db2.gz SFZLNKLFIORDPV-IRXDYDNUSA-N 2 2 332.492 2.608 10 30 EFEELP CC#CC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001482221559 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ZINC001667257736 1105101143 /nfs/dbraw/zinc/10/11/43/1105101143.db2.gz OJFSWAOYCZMLRG-GOSISDBHSA-N 2 2 338.455 2.640 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001667379890 1105132614 /nfs/dbraw/zinc/13/26/14/1105132614.db2.gz DGALUALLLUESGQ-WMZOPIPTSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001667414018 1105144290 /nfs/dbraw/zinc/14/42/90/1105144290.db2.gz VJGZWTACOCYMCD-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001667414018 1105144294 /nfs/dbraw/zinc/14/42/94/1105144294.db2.gz VJGZWTACOCYMCD-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001667414018 1105144298 /nfs/dbraw/zinc/14/42/98/1105144298.db2.gz VJGZWTACOCYMCD-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001667414018 1105144301 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VRKXHBHRFUGGMO-FUHWJXTLSA-N 2 2 332.492 2.584 10 30 EFEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1CC ZINC001672181882 1105767926 /nfs/dbraw/zinc/76/79/26/1105767926.db2.gz CWISTNKBXVFLDP-LJQANCHMSA-N 2 2 340.471 2.846 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001672208368 1105773780 /nfs/dbraw/zinc/77/37/80/1105773780.db2.gz BSSYADXPEPDOEM-IAGOWNOFSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001672420067 1105829278 /nfs/dbraw/zinc/82/92/78/1105829278.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 2 342.487 2.650 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001672420067 1105829285 /nfs/dbraw/zinc/82/92/85/1105829285.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 2 342.487 2.650 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001672420067 1105829292 /nfs/dbraw/zinc/82/92/92/1105829292.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 2 342.487 2.650 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001672420067 1105829299 /nfs/dbraw/zinc/82/92/99/1105829299.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 2 342.487 2.650 10 30 EFEELP C=CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001673009073 1105959031 /nfs/dbraw/zinc/95/90/31/1105959031.db2.gz OPEHOSNCDZJHGF-UHFFFAOYSA-N 2 2 344.503 2.817 10 30 EFEELP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001673634168 1106060749 /nfs/dbraw/zinc/06/07/49/1106060749.db2.gz OTBXXDBCBTXFFW-LPHOPBHVSA-N 2 2 338.455 2.563 10 30 EFEELP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001673634168 1106060753 /nfs/dbraw/zinc/06/07/53/1106060753.db2.gz OTBXXDBCBTXFFW-LPHOPBHVSA-N 2 2 338.455 2.563 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001675257541 1106326118 /nfs/dbraw/zinc/32/61/18/1106326118.db2.gz BDIUIMKZOUURNA-BRWVUGGUSA-N 2 2 330.476 2.840 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001675257541 1106326123 /nfs/dbraw/zinc/32/61/23/1106326123.db2.gz BDIUIMKZOUURNA-BRWVUGGUSA-N 2 2 330.476 2.840 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001675257541 1106326128 /nfs/dbraw/zinc/32/61/28/1106326128.db2.gz BDIUIMKZOUURNA-BRWVUGGUSA-N 2 2 330.476 2.840 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001675257541 1106326133 /nfs/dbraw/zinc/32/61/33/1106326133.db2.gz BDIUIMKZOUURNA-BRWVUGGUSA-N 2 2 330.476 2.840 10 30 EFEELP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001675322642 1106339938 /nfs/dbraw/zinc/33/99/38/1106339938.db2.gz MSPRTITUIITQOX-IAGOWNOFSA-N 2 2 346.519 2.852 10 30 EFEELP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001675458438 1106362198 /nfs/dbraw/zinc/36/21/98/1106362198.db2.gz KWOAMNXTVKMDHK-IAGOWNOFSA-N 2 2 332.492 2.873 10 30 EFEELP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001675458438 1106362203 /nfs/dbraw/zinc/36/22/03/1106362203.db2.gz KWOAMNXTVKMDHK-IAGOWNOFSA-N 2 2 332.492 2.873 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001675643606 1106403473 /nfs/dbraw/zinc/40/34/73/1106403473.db2.gz UMPXLOXSDPEUME-BZSNNMDCSA-N 2 2 344.503 2.915 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001675643606 1106403479 /nfs/dbraw/zinc/40/34/79/1106403479.db2.gz UMPXLOXSDPEUME-BZSNNMDCSA-N 2 2 344.503 2.915 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001675678335 1106409482 /nfs/dbraw/zinc/40/94/82/1106409482.db2.gz OUHUNUBUPZTMNQ-OAHLLOKOSA-N 2 2 330.476 2.540 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001675678335 1106409486 /nfs/dbraw/zinc/40/94/86/1106409486.db2.gz OUHUNUBUPZTMNQ-OAHLLOKOSA-N 2 2 330.476 2.540 10 30 EFEELP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001676763763 1106575687 /nfs/dbraw/zinc/57/56/87/1106575687.db2.gz XOYUHNQKFAFEHR-IAGOWNOFSA-N 2 2 340.471 2.730 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001677281394 1106690677 /nfs/dbraw/zinc/69/06/77/1106690677.db2.gz IPTVJRGODUFMEM-INMHGKMJSA-N 2 2 332.492 2.610 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001677334713 1106699415 /nfs/dbraw/zinc/69/94/15/1106699415.db2.gz GRLMMSCVVABBHE-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001483799946 1112458929 /nfs/dbraw/zinc/45/89/29/1112458929.db2.gz VHZHCVGYKHQQNR-SFHVURJKSA-N 2 2 344.503 2.787 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001483799946 1112458933 /nfs/dbraw/zinc/45/89/33/1112458933.db2.gz VHZHCVGYKHQQNR-SFHVURJKSA-N 2 2 344.503 2.787 10 30 EFEELP C#CC[N@H+](CC1CC1)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001483816710 1112485863 /nfs/dbraw/zinc/48/58/63/1112485863.db2.gz LDPIIMQUHVCIFO-UHFFFAOYSA-N 2 2 339.483 2.957 10 30 EFEELP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001483816710 1112485865 /nfs/dbraw/zinc/48/58/65/1112485865.db2.gz LDPIIMQUHVCIFO-UHFFFAOYSA-N 2 2 339.483 2.957 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484164224 1112849433 /nfs/dbraw/zinc/84/94/33/1112849433.db2.gz SINARCQRFZNMRU-LJQANCHMSA-N 2 2 326.444 2.971 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484164224 1112849436 /nfs/dbraw/zinc/84/94/36/1112849436.db2.gz SINARCQRFZNMRU-LJQANCHMSA-N 2 2 326.444 2.971 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001484165792 1112870330 /nfs/dbraw/zinc/87/03/30/1112870330.db2.gz ZDYKTCBYVBQIPC-IBGZPJMESA-N 2 2 332.492 2.537 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001484165792 1112870333 /nfs/dbraw/zinc/87/03/33/1112870333.db2.gz ZDYKTCBYVBQIPC-IBGZPJMESA-N 2 2 332.492 2.537 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001484943123 1117868696 /nfs/dbraw/zinc/86/86/96/1117868696.db2.gz VDZOEHNIHNZEQG-KRWDZBQOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001484943123 1117868702 /nfs/dbraw/zinc/86/87/02/1117868702.db2.gz VDZOEHNIHNZEQG-KRWDZBQOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485044034 1117962669 /nfs/dbraw/zinc/96/26/69/1117962669.db2.gz KQSFQVBTYACYJO-XFQXTVEOSA-N 2 2 338.455 2.782 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001485240918 1118172653 /nfs/dbraw/zinc/17/26/53/1118172653.db2.gz RPWUXAPJQPCSFP-GTPINHCMSA-N 2 2 332.492 2.677 10 30 EFEELP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001485241517 1118173268 /nfs/dbraw/zinc/17/32/68/1118173268.db2.gz IHTLJYFAYUJUKH-FHERZECASA-N 2 2 338.883 2.946 10 30 EFEELP C#CCC[NH2+][C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001485434450 1118346808 /nfs/dbraw/zinc/34/68/08/1118346808.db2.gz LZFVTGPBNXMJIH-INIZCTEOSA-N 2 2 326.444 2.663 10 30 EFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000178300206 232130713 /nfs/dbraw/zinc/13/07/13/232130713.db2.gz VFKVJAJGXQCSRV-WMLDXEAASA-N 2 2 337.427 2.555 10 30 EFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000178300206 232130715 /nfs/dbraw/zinc/13/07/15/232130715.db2.gz VFKVJAJGXQCSRV-WMLDXEAASA-N 2 2 337.427 2.555 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000181798443 234325307 /nfs/dbraw/zinc/32/53/07/234325307.db2.gz ULUFTJBKLXTWQE-ICSRJNTNSA-N 2 2 327.472 2.663 10 30 EFEELP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000187679187 236275108 /nfs/dbraw/zinc/27/51/08/236275108.db2.gz DVRSOXHQOLXMQN-YLJYHZDGSA-N 2 2 326.488 2.721 10 30 EFEELP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000187679187 236275109 /nfs/dbraw/zinc/27/51/09/236275109.db2.gz DVRSOXHQOLXMQN-YLJYHZDGSA-N 2 2 326.488 2.721 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261820566 240326542 /nfs/dbraw/zinc/32/65/42/240326542.db2.gz PJFWTBXCBNBMPL-ZBFHGGJFSA-N 2 2 335.517 2.710 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261820566 240326553 /nfs/dbraw/zinc/32/65/53/240326553.db2.gz PJFWTBXCBNBMPL-ZBFHGGJFSA-N 2 2 335.517 2.710 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462424 217226857 /nfs/dbraw/zinc/22/68/57/217226857.db2.gz UEAYLVMWUDOZOI-MLGOLLRUSA-N 2 2 348.516 2.837 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462424 217226859 /nfs/dbraw/zinc/22/68/59/217226859.db2.gz UEAYLVMWUDOZOI-MLGOLLRUSA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462424 217226862 /nfs/dbraw/zinc/22/68/62/217226862.db2.gz UEAYLVMWUDOZOI-MLGOLLRUSA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462424 217226864 /nfs/dbraw/zinc/22/68/64/217226864.db2.gz UEAYLVMWUDOZOI-MLGOLLRUSA-N 2 2 348.516 2.837 10 30 EFEELP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247236811 285037645 /nfs/dbraw/zinc/03/76/45/285037645.db2.gz YXFVGWVSSKQSMX-MOPGFXCFSA-N 2 2 348.535 2.583 10 30 EFEELP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247236811 285037647 /nfs/dbraw/zinc/03/76/47/285037647.db2.gz YXFVGWVSSKQSMX-MOPGFXCFSA-N 2 2 348.535 2.583 10 30 EFEELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000181934852 533053003 /nfs/dbraw/zinc/05/30/03/533053003.db2.gz RACIWNATBZPIPY-YOEHRIQHSA-N 2 2 336.443 2.710 10 30 EFEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261940473 533478606 /nfs/dbraw/zinc/47/86/06/533478606.db2.gz DMDLPNCVLBPZLO-QGZVFWFLSA-N 2 2 342.487 2.694 10 30 EFEELP Cc1sc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)c1C ZINC000374201620 151300992 /nfs/dbraw/zinc/30/09/92/151300992.db2.gz WKCCDIGIGJVOIY-UHFFFAOYSA-N 2 2 343.456 2.778 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252408 268223742 /nfs/dbraw/zinc/22/37/42/268223742.db2.gz GZIMXDRDZSOSBH-QAPCUYQASA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252408 268223745 /nfs/dbraw/zinc/22/37/45/268223745.db2.gz GZIMXDRDZSOSBH-QAPCUYQASA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252408 268223748 /nfs/dbraw/zinc/22/37/48/268223748.db2.gz GZIMXDRDZSOSBH-QAPCUYQASA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252408 268223750 /nfs/dbraw/zinc/22/37/50/268223750.db2.gz GZIMXDRDZSOSBH-QAPCUYQASA-N 2 2 340.427 2.915 10 30 EFEELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000182903436 277111904 /nfs/dbraw/zinc/11/19/04/277111904.db2.gz DINGYKBLTDMFIP-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000182903436 277111905 /nfs/dbraw/zinc/11/19/05/277111905.db2.gz DINGYKBLTDMFIP-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2=O)cc1 ZINC000569330728 319370494 /nfs/dbraw/zinc/37/04/94/319370494.db2.gz BHSMSKDBQZRVBI-SLFFLAALSA-N 2 2 346.434 2.788 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000581339357 324354041 /nfs/dbraw/zinc/35/40/41/324354041.db2.gz UIXCSSWLAMOGLT-FPOVZHCZSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000581339357 324354044 /nfs/dbraw/zinc/35/40/44/324354044.db2.gz UIXCSSWLAMOGLT-FPOVZHCZSA-N 2 2 348.450 2.922 10 30 EFEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)C(C)C ZINC000625558940 479970599 /nfs/dbraw/zinc/97/05/99/479970599.db2.gz ZRNGBKSFRBUQNE-MSOLQXFVSA-N 2 2 344.503 2.569 10 30 EFEELP CC[N@H+](C)Cc1cccc(CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000097199931 472478182 /nfs/dbraw/zinc/47/81/82/472478182.db2.gz AXASRGRBLBGQNH-UHFFFAOYSA-N 2 2 349.442 2.804 10 30 EFEELP CC[N@@H+](C)Cc1cccc(CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000097199931 472478190 /nfs/dbraw/zinc/47/81/90/472478190.db2.gz AXASRGRBLBGQNH-UHFFFAOYSA-N 2 2 349.442 2.804 10 30 EFEELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)CCO1 ZINC000155675727 472593698 /nfs/dbraw/zinc/59/36/98/472593698.db2.gz BODFXYKNUCNKDD-QGZVFWFLSA-N 2 2 343.471 2.512 10 30 EFEELP C[C@@H]1C[N@H+](C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)CCO1 ZINC000155675727 472593702 /nfs/dbraw/zinc/59/37/02/472593702.db2.gz BODFXYKNUCNKDD-QGZVFWFLSA-N 2 2 343.471 2.512 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000120046024 472621270 /nfs/dbraw/zinc/62/12/70/472621270.db2.gz WYQXSJUBQOJXQG-HXUWFJFHSA-N 2 2 343.515 2.853 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000120046024 472621272 /nfs/dbraw/zinc/62/12/72/472621272.db2.gz WYQXSJUBQOJXQG-HXUWFJFHSA-N 2 2 343.515 2.853 10 30 EFEELP CCC[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000078253192 472682290 /nfs/dbraw/zinc/68/22/90/472682290.db2.gz BTSUGDMAJNPGGI-UHFFFAOYSA-N 2 2 330.451 2.694 10 30 EFEELP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156546455 472723536 /nfs/dbraw/zinc/72/35/36/472723536.db2.gz GJBZAACOZKYOAS-YJBOKZPZSA-N 2 2 337.427 2.666 10 30 EFEELP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156546455 472723543 /nfs/dbraw/zinc/72/35/43/472723543.db2.gz GJBZAACOZKYOAS-YJBOKZPZSA-N 2 2 337.427 2.666 10 30 EFEELP C[NH+](C)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000091669410 472789937 /nfs/dbraw/zinc/78/99/37/472789937.db2.gz OWLHUJTYBWFOTN-UHFFFAOYSA-N 2 2 337.471 2.990 10 30 EFEELP C=CCOc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093147402 473053656 /nfs/dbraw/zinc/05/36/56/473053656.db2.gz NLAFYNXAJGEOQJ-FQEVSTJZSA-N 2 2 343.515 2.853 10 30 EFEELP C=CCOc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093147402 473053661 /nfs/dbraw/zinc/05/36/61/473053661.db2.gz NLAFYNXAJGEOQJ-FQEVSTJZSA-N 2 2 343.515 2.853 10 30 EFEELP N#CC1CCC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000281735682 473822228 /nfs/dbraw/zinc/82/22/28/473822228.db2.gz JPWCYXKPAXPBBU-UHFFFAOYSA-N 2 2 333.399 2.952 10 30 EFEELP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247329217 474119376 /nfs/dbraw/zinc/11/93/76/474119376.db2.gz GJBZAACOZKYOAS-CRAIPNDOSA-N 2 2 337.427 2.666 10 30 EFEELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247329217 474119383 /nfs/dbraw/zinc/11/93/83/474119383.db2.gz GJBZAACOZKYOAS-CRAIPNDOSA-N 2 2 337.427 2.666 10 30 EFEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249914897 474624351 /nfs/dbraw/zinc/62/43/51/474624351.db2.gz XCVOUJCLLZOMLX-WBVHZDCISA-N 2 2 349.438 2.714 10 30 EFEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249914897 474624354 /nfs/dbraw/zinc/62/43/54/474624354.db2.gz XCVOUJCLLZOMLX-WBVHZDCISA-N 2 2 349.438 2.714 10 30 EFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257798 480132382 /nfs/dbraw/zinc/13/23/82/480132382.db2.gz FFPLXHRNWBBNCP-HNNXBMFYSA-N 2 2 343.818 2.684 10 30 EFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257798 480132385 /nfs/dbraw/zinc/13/23/85/480132385.db2.gz FFPLXHRNWBBNCP-HNNXBMFYSA-N 2 2 343.818 2.684 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329857652 475148491 /nfs/dbraw/zinc/14/84/91/475148491.db2.gz VOJIVWDIXQUDDK-QGZVFWFLSA-N 2 2 345.491 2.584 10 30 EFEELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000365834782 476724441 /nfs/dbraw/zinc/72/44/41/476724441.db2.gz SUBPXZFNBWDMRV-UHFFFAOYSA-N 2 2 347.422 2.953 10 30 EFEELP N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878290 476807529 /nfs/dbraw/zinc/80/75/29/476807529.db2.gz UBVRPJOSYSVPKO-SLFFLAALSA-N 2 2 327.472 2.949 10 30 EFEELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000424161011 477313475 /nfs/dbraw/zinc/31/34/75/477313475.db2.gz BDLDHVIQOCOBLN-GOSISDBHSA-N 2 2 337.427 2.621 10 30 EFEELP C=CCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000424301385 477363992 /nfs/dbraw/zinc/36/39/92/477363992.db2.gz ZUVOAMZMYIDEOM-FNLKRUPLSA-N 2 2 337.471 2.749 10 30 EFEELP C=CCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000424301385 477363997 /nfs/dbraw/zinc/36/39/97/477363997.db2.gz ZUVOAMZMYIDEOM-FNLKRUPLSA-N 2 2 337.471 2.749 10 30 EFEELP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCCCC#N ZINC000368082328 477783986 /nfs/dbraw/zinc/78/39/86/477783986.db2.gz VIYZPUVPUOSYEV-HNNXBMFYSA-N 2 2 340.427 2.748 10 30 EFEELP COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OCCCC#N ZINC000368082328 477783992 /nfs/dbraw/zinc/78/39/92/477783992.db2.gz VIYZPUVPUOSYEV-HNNXBMFYSA-N 2 2 340.427 2.748 10 30 EFEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445524 478393067 /nfs/dbraw/zinc/39/30/67/478393067.db2.gz HAAZNAKPFWYXTE-DZGCQCFKSA-N 2 2 349.504 2.725 10 30 EFEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445524 478393074 /nfs/dbraw/zinc/39/30/74/478393074.db2.gz HAAZNAKPFWYXTE-DZGCQCFKSA-N 2 2 349.504 2.725 10 30 EFEELP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000527298486 478421289 /nfs/dbraw/zinc/42/12/89/478421289.db2.gz JCUWLJNRTIFRCC-MSOLQXFVSA-N 2 2 346.519 2.525 10 30 EFEELP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000527298486 478421293 /nfs/dbraw/zinc/42/12/93/478421293.db2.gz JCUWLJNRTIFRCC-MSOLQXFVSA-N 2 2 346.519 2.525 10 30 EFEELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218051 478485855 /nfs/dbraw/zinc/48/58/55/478485855.db2.gz VHDWDZLLDHUAOO-INIZCTEOSA-N 2 2 328.416 2.630 10 30 EFEELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218051 478485864 /nfs/dbraw/zinc/48/58/64/478485864.db2.gz VHDWDZLLDHUAOO-INIZCTEOSA-N 2 2 328.416 2.630 10 30 EFEELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218051 478485878 /nfs/dbraw/zinc/48/58/78/478485878.db2.gz VHDWDZLLDHUAOO-INIZCTEOSA-N 2 2 328.416 2.630 10 30 EFEELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218051 478485885 /nfs/dbraw/zinc/48/58/85/478485885.db2.gz VHDWDZLLDHUAOO-INIZCTEOSA-N 2 2 328.416 2.630 10 30 EFEELP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[NH+]2CCCC2)cc1 ZINC000600721999 478486260 /nfs/dbraw/zinc/48/62/60/478486260.db2.gz PIJIANUUYBALIU-RBUKOAKNSA-N 2 2 327.472 2.776 10 30 EFEELP C[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600735799 478496698 /nfs/dbraw/zinc/49/66/98/478496698.db2.gz VQHXJENPQVTWAI-RBUKOAKNSA-N 2 2 327.472 2.685 10 30 EFEELP C[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000600735799 478496705 /nfs/dbraw/zinc/49/67/05/478496705.db2.gz VQHXJENPQVTWAI-RBUKOAKNSA-N 2 2 327.472 2.685 10 30 EFEELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736611 478497134 /nfs/dbraw/zinc/49/71/34/478497134.db2.gz RRSMKPOBCMYFPQ-RBUKOAKNSA-N 2 2 327.472 2.541 10 30 EFEELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736611 478497142 /nfs/dbraw/zinc/49/71/42/478497142.db2.gz RRSMKPOBCMYFPQ-RBUKOAKNSA-N 2 2 327.472 2.541 10 30 EFEELP N#CC1(C[C@H](O)C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000600738907 478497832 /nfs/dbraw/zinc/49/78/32/478497832.db2.gz MDUKLWLEPSNXPR-ZDUSSCGKSA-N 2 2 330.819 2.670 10 30 EFEELP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000594959197 478604439 /nfs/dbraw/zinc/60/44/39/478604439.db2.gz AUJVXPZIWUHTGT-GOSISDBHSA-N 2 2 337.471 2.921 10 30 EFEELP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000594959197 478604445 /nfs/dbraw/zinc/60/44/45/478604445.db2.gz AUJVXPZIWUHTGT-GOSISDBHSA-N 2 2 337.471 2.921 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000598719875 478989894 /nfs/dbraw/zinc/98/98/94/478989894.db2.gz KMMAFDYRUFBVHK-MOPGFXCFSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000598719875 478989903 /nfs/dbraw/zinc/98/99/03/478989903.db2.gz KMMAFDYRUFBVHK-MOPGFXCFSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000598725630 478992435 /nfs/dbraw/zinc/99/24/35/478992435.db2.gz XWTMSFVYUANMOY-NRXISQOPSA-N 2 2 347.425 2.682 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000599668022 479379460 /nfs/dbraw/zinc/37/94/60/479379460.db2.gz AARJYKHVYMYPSX-UHFFFAOYSA-N 2 2 343.471 2.514 10 30 EFEELP CN(C(=O)CCCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000594003771 479541943 /nfs/dbraw/zinc/54/19/43/479541943.db2.gz VIYGAEMVGUFJQP-OALUTQOASA-N 2 2 348.535 2.866 10 30 EFEELP CN(C(=O)CCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000594003771 479541951 /nfs/dbraw/zinc/54/19/51/479541951.db2.gz VIYGAEMVGUFJQP-OALUTQOASA-N 2 2 348.535 2.866 10 30 EFEELP N#CCC[C@@H](C#N)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000578316996 479604380 /nfs/dbraw/zinc/60/43/80/479604380.db2.gz WRKOJMBSFVYNNN-GRTSSRMGSA-N 2 2 328.382 2.825 10 30 EFEELP C=C[C@H]([NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000619702886 479862410 /nfs/dbraw/zinc/86/24/10/479862410.db2.gz ADFAUQINEXHFHP-SFHVURJKSA-N 2 2 330.472 2.996 10 30 EFEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662080853 481537157 /nfs/dbraw/zinc/53/71/57/481537157.db2.gz RPBBSBBNUZJXIK-BGYRXZFFSA-N 2 2 339.483 2.514 10 30 EFEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662080853 481537164 /nfs/dbraw/zinc/53/71/64/481537164.db2.gz RPBBSBBNUZJXIK-BGYRXZFFSA-N 2 2 339.483 2.514 10 30 EFEELP C=CC[C@@]1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662721545 481948464 /nfs/dbraw/zinc/94/84/64/481948464.db2.gz YISPQVGTRXHTND-UZLBHIALSA-N 2 2 343.471 2.717 10 30 EFEELP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661114725 482332149 /nfs/dbraw/zinc/33/21/49/482332149.db2.gz LARGNEHWZSYGAH-HKUYNNGSSA-N 2 2 345.487 2.648 10 30 EFEELP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000177045932 523653970 /nfs/dbraw/zinc/65/39/70/523653970.db2.gz VETAWEKNMDZJMB-LJQANCHMSA-N 2 2 341.455 2.580 10 30 EFEELP C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245561758 524503995 /nfs/dbraw/zinc/50/39/95/524503995.db2.gz CEQDYACCWVIBJL-UKRRQHHQSA-N 2 2 343.456 2.728 10 30 EFEELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245561758 524504002 /nfs/dbraw/zinc/50/40/02/524504002.db2.gz CEQDYACCWVIBJL-UKRRQHHQSA-N 2 2 343.456 2.728 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000155104924 525012474 /nfs/dbraw/zinc/01/24/74/525012474.db2.gz BYOWMUZSHWEYRN-UZLBHIALSA-N 2 2 345.450 2.816 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000155104924 525012487 /nfs/dbraw/zinc/01/24/87/525012487.db2.gz BYOWMUZSHWEYRN-UZLBHIALSA-N 2 2 345.450 2.816 10 30 EFEELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000180196492 525419252 /nfs/dbraw/zinc/41/92/52/525419252.db2.gz JJIOSGQPMVQCRI-DNVCBOLYSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000180196492 525419258 /nfs/dbraw/zinc/41/92/58/525419258.db2.gz JJIOSGQPMVQCRI-DNVCBOLYSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196492 525419266 /nfs/dbraw/zinc/41/92/66/525419266.db2.gz JJIOSGQPMVQCRI-DNVCBOLYSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196492 525419272 /nfs/dbraw/zinc/41/92/72/525419272.db2.gz JJIOSGQPMVQCRI-DNVCBOLYSA-N 2 2 337.471 2.873 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658061029 547345319 /nfs/dbraw/zinc/34/53/19/547345319.db2.gz RVPRTRQPUBVDEZ-QUCCMNQESA-N 2 2 335.536 2.508 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658061029 547345323 /nfs/dbraw/zinc/34/53/23/547345323.db2.gz RVPRTRQPUBVDEZ-QUCCMNQESA-N 2 2 335.536 2.508 10 30 EFEELP C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457562 550154664 /nfs/dbraw/zinc/15/46/64/550154664.db2.gz DXULPKKKPUGGFY-FQEVSTJZSA-N 2 2 343.515 2.852 10 30 EFEELP C=CCOc1ccccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457562 550154665 /nfs/dbraw/zinc/15/46/65/550154665.db2.gz DXULPKKKPUGGFY-FQEVSTJZSA-N 2 2 343.515 2.852 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000755661340 575614884 /nfs/dbraw/zinc/61/48/84/575614884.db2.gz HHPIJXXGFAFURR-RBUKOAKNSA-N 2 2 328.456 2.710 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000755661340 575614886 /nfs/dbraw/zinc/61/48/86/575614886.db2.gz HHPIJXXGFAFURR-RBUKOAKNSA-N 2 2 328.456 2.710 10 30 EFEELP C[NH+]1CCN(c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000770412534 577416531 /nfs/dbraw/zinc/41/65/31/577416531.db2.gz NLWIAGQPJZTVGF-UHFFFAOYSA-N 2 2 346.438 2.570 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691105240 1248417722 /nfs/dbraw/zinc/41/77/22/1248417722.db2.gz XHOMMWCYVZFIPA-OAGGEKHMSA-N 2 2 326.444 2.787 10 30 EFEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001484350310 1252438888 /nfs/dbraw/zinc/43/88/88/1252438888.db2.gz HNWWDTALJVGIIM-IRXDYDNUSA-N 2 2 340.471 2.588 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484372524 1252467975 /nfs/dbraw/zinc/46/79/75/1252467975.db2.gz SUJMMCFTSPPFBT-JKSUJKDBSA-N 2 2 326.444 2.598 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484466287 1252673602 /nfs/dbraw/zinc/67/36/02/1252673602.db2.gz XEPYRQCALCRBQO-BPQIPLTHSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484466287 1252673613 /nfs/dbraw/zinc/67/36/13/1252673613.db2.gz XEPYRQCALCRBQO-BPQIPLTHSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484466287 1252673623 /nfs/dbraw/zinc/67/36/23/1252673623.db2.gz XEPYRQCALCRBQO-BPQIPLTHSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484466287 1252673632 /nfs/dbraw/zinc/67/36/32/1252673632.db2.gz XEPYRQCALCRBQO-BPQIPLTHSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001670960843 1259073580 /nfs/dbraw/zinc/07/35/80/1259073580.db2.gz OJYKSBOQFPGBES-KURKYZTESA-N 2 2 330.476 2.693 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001670960843 1259073584 /nfs/dbraw/zinc/07/35/84/1259073584.db2.gz OJYKSBOQFPGBES-KURKYZTESA-N 2 2 330.476 2.693 10 30 EFEELP C=CCC[N@H+]1CCc2c(CNC(=O)Cc3[nH]c[nH+]c3C)cccc2C1 ZINC001272916975 1261329696 /nfs/dbraw/zinc/32/96/96/1261329696.db2.gz LNJDUWJCBUVBGB-UHFFFAOYSA-N 2 2 338.455 2.511 10 30 EFEELP C=CCC[N@@H+]1CCc2c(CNC(=O)Cc3[nH]c[nH+]c3C)cccc2C1 ZINC001272916975 1261329703 /nfs/dbraw/zinc/32/97/03/1261329703.db2.gz LNJDUWJCBUVBGB-UHFFFAOYSA-N 2 2 338.455 2.511 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001486166373 1262727836 /nfs/dbraw/zinc/72/78/36/1262727836.db2.gz JUTJRAVJJFGPET-IPMKNSEASA-N 2 2 344.503 2.846 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001486206206 1262758484 /nfs/dbraw/zinc/75/84/84/1262758484.db2.gz FTYAXJNRROUBHI-SJLPKXTDSA-N 2 2 338.455 2.937 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001486450107 1263143059 /nfs/dbraw/zinc/14/30/59/1263143059.db2.gz BRFSZNWUTVDULT-INIZCTEOSA-N 2 2 332.492 2.536 10 30 EFEELP N#Cc1ccc(Br)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000922138314 1264490674 /nfs/dbraw/zinc/49/06/74/1264490674.db2.gz JEPCOCWPCHGFIU-LBPRGKRZSA-N 2 2 331.217 2.691 10 30 EFEELP C=CCCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001671059884 1270145897 /nfs/dbraw/zinc/14/58/97/1270145897.db2.gz SBEYCDPSYQUAIK-UHFFFAOYSA-N 2 2 330.476 2.541 10 30 EFEELP CC[C@H](C(=O)N(CC[N@H+](C)Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001411193649 1271807865 /nfs/dbraw/zinc/80/78/65/1271807865.db2.gz DAEAONKJIVEFLE-LJQANCHMSA-N 2 2 344.503 2.567 10 30 EFEELP CC[C@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1C#N)C(C)C)[NH+](C)C ZINC001411193649 1271807871 /nfs/dbraw/zinc/80/78/71/1271807871.db2.gz DAEAONKJIVEFLE-LJQANCHMSA-N 2 2 344.503 2.567 10 30 EFEELP CC1(C)CO[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000872105144 1287429662 /nfs/dbraw/zinc/42/96/62/1287429662.db2.gz BADYTQUBWVTVGH-LJQANCHMSA-N 2 2 327.472 2.927 10 30 EFEELP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nc(C#N)cs3)CC2)cc1 ZINC000810147012 1282967883 /nfs/dbraw/zinc/96/78/83/1282967883.db2.gz ZCBJJIXPNLIDRC-UHFFFAOYSA-N 2 2 341.484 2.839 10 30 EFEELP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001277681591 1312732623 /nfs/dbraw/zinc/73/26/23/1312732623.db2.gz DNAUKSBOCWHTBZ-LJQANCHMSA-N 2 2 329.488 2.788 10 30 EFEELP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001277681591 1312732626 /nfs/dbraw/zinc/73/26/26/1312732626.db2.gz DNAUKSBOCWHTBZ-LJQANCHMSA-N 2 2 329.488 2.788 10 30 EFEELP C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648433 1295088750 /nfs/dbraw/zinc/08/87/50/1295088750.db2.gz STXOROMDEKAOBH-OTWHNJEPSA-N 2 2 328.456 2.558 10 30 EFEELP C=CC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648433 1295088757 /nfs/dbraw/zinc/08/87/57/1295088757.db2.gz STXOROMDEKAOBH-OTWHNJEPSA-N 2 2 328.456 2.558 10 30 EFEELP C=CC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648433 1295088769 /nfs/dbraw/zinc/08/87/69/1295088769.db2.gz STXOROMDEKAOBH-OTWHNJEPSA-N 2 2 328.456 2.558 10 30 EFEELP C=CC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648433 1295088781 /nfs/dbraw/zinc/08/87/81/1295088781.db2.gz STXOROMDEKAOBH-OTWHNJEPSA-N 2 2 328.456 2.558 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001691732162 1295315231 /nfs/dbraw/zinc/31/52/31/1295315231.db2.gz JSKCXORIDJHAFQ-SJLPKXTDSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277883466 1313186763 /nfs/dbraw/zinc/18/67/63/1313186763.db2.gz IPVOZNPZVYLSLT-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001277969416 1313387941 /nfs/dbraw/zinc/38/79/41/1313387941.db2.gz SKLCAMPIHGYGRC-IAGOWNOFSA-N 2 2 342.487 2.976 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903931180 1313436852 /nfs/dbraw/zinc/43/68/52/1313436852.db2.gz AJGYJPMPOUPAAM-VCSGRIEYSA-N 3 2 338.499 2.643 10 30 EFEELP 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ZINC001327271969 1330450095 /nfs/dbraw/zinc/45/00/95/1330450095.db2.gz UBBFQCMWKRLCGC-UHFFFAOYSA-N 2 2 328.460 2.542 10 30 EFEELP C=CCCC[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001328588855 1330606312 /nfs/dbraw/zinc/60/63/12/1330606312.db2.gz MZQFQTUVUVRTIT-UHFFFAOYSA-N 2 2 332.492 2.787 10 30 EFEELP C=CCCC[N@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001328588855 1330606315 /nfs/dbraw/zinc/60/63/15/1330606315.db2.gz MZQFQTUVUVRTIT-UHFFFAOYSA-N 2 2 332.492 2.787 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778550 1330630511 /nfs/dbraw/zinc/63/05/11/1330630511.db2.gz AHDIDXKGSJNRKO-CVEARBPZSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778550 1330630512 /nfs/dbraw/zinc/63/05/12/1330630512.db2.gz AHDIDXKGSJNRKO-CVEARBPZSA-N 2 2 332.492 2.965 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329091197 1330666021 /nfs/dbraw/zinc/66/60/21/1330666021.db2.gz SCFSQTFLOGNTGV-HOTGVXAUSA-N 2 2 326.444 2.935 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001332209700 1330941166 /nfs/dbraw/zinc/94/11/66/1330941166.db2.gz ZAUVMMPANYKGOH-SJLPKXTDSA-N 2 2 334.508 2.902 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001332209700 1330941168 /nfs/dbraw/zinc/94/11/68/1330941168.db2.gz ZAUVMMPANYKGOH-SJLPKXTDSA-N 2 2 334.508 2.902 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332215883 1330942227 /nfs/dbraw/zinc/94/22/27/1330942227.db2.gz BUIFQNXDQAKOOA-IRXDYDNUSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332215883 1330942229 /nfs/dbraw/zinc/94/22/29/1330942229.db2.gz BUIFQNXDQAKOOA-IRXDYDNUSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001332295688 1330954327 /nfs/dbraw/zinc/95/43/27/1330954327.db2.gz ZVOHLKHUXWVJPL-SJLPKXTDSA-N 2 2 338.455 2.937 10 30 EFEELP C=CC[NH2+]C1(CNC(=O)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001333014148 1331064920 /nfs/dbraw/zinc/06/49/20/1331064920.db2.gz MNRYPRSDAADJIN-UHFFFAOYSA-N 2 2 329.488 2.569 10 30 EFEELP CC(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N2CCCC2)cc1O ZINC000848419017 1334714165 /nfs/dbraw/zinc/71/41/65/1334714165.db2.gz UIXXFNRSYYEWSX-UHFFFAOYSA-N 2 2 327.432 2.593 10 30 EFEELP C#CC[NH+]1CCC(c2nc(CCCCn3c[nH+]c(C)c3C)no2)CC1 ZINC000848614878 1334812831 /nfs/dbraw/zinc/81/28/31/1334812831.db2.gz KZHLQRPAFKXPKS-UHFFFAOYSA-N 2 2 341.459 2.718 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001374386103 1341837358 /nfs/dbraw/zinc/83/73/58/1341837358.db2.gz BVKNPTCXSBKKDS-KBPBESRZSA-N 2 2 338.883 2.657 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001374386114 1341837406 /nfs/dbraw/zinc/83/74/06/1341837406.db2.gz BVKNPTCXSBKKDS-ZIAGYGMSSA-N 2 2 338.883 2.657 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001375160673 1342477907 /nfs/dbraw/zinc/47/79/07/1342477907.db2.gz RYWWLBHVGFFOED-HOTGVXAUSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001375160673 1342477909 /nfs/dbraw/zinc/47/79/09/1342477909.db2.gz RYWWLBHVGFFOED-HOTGVXAUSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001380792995 1347881420 /nfs/dbraw/zinc/88/14/20/1347881420.db2.gz OIYFPNYLWRQVRL-GVDBMIGSSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001380792995 1347881425 /nfs/dbraw/zinc/88/14/25/1347881425.db2.gz OIYFPNYLWRQVRL-GVDBMIGSSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001394799134 1358082541 /nfs/dbraw/zinc/08/25/41/1358082541.db2.gz UXGIHYIRASLSBI-INIZCTEOSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001394799134 1358082544 /nfs/dbraw/zinc/08/25/44/1358082544.db2.gz UXGIHYIRASLSBI-INIZCTEOSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001394799134 1358082546 /nfs/dbraw/zinc/08/25/46/1358082546.db2.gz UXGIHYIRASLSBI-INIZCTEOSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001394799134 1358082550 /nfs/dbraw/zinc/08/25/50/1358082550.db2.gz UXGIHYIRASLSBI-INIZCTEOSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001398370493 1360492408 /nfs/dbraw/zinc/49/24/08/1360492408.db2.gz BXVNHQRMALIZNV-UHFFFAOYSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001400709067 1362111973 /nfs/dbraw/zinc/11/19/73/1362111973.db2.gz VLXSYURLEZBCGU-HUUCEWRRSA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001400709067 1362111976 /nfs/dbraw/zinc/11/19/76/1362111976.db2.gz VLXSYURLEZBCGU-HUUCEWRRSA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001402097568 1363404473 /nfs/dbraw/zinc/40/44/73/1363404473.db2.gz LZNSOIWHNFSNRI-GDBMZVCRSA-N 2 2 338.883 2.851 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001403485173 1364691959 /nfs/dbraw/zinc/69/19/59/1364691959.db2.gz BQVYFCMEGBLACH-OAHLLOKOSA-N 2 2 340.899 2.800 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001418636837 1374302351 /nfs/dbraw/zinc/30/23/51/1374302351.db2.gz FRTSXPGPULJCDL-IAGOWNOFSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001418636837 1374302355 /nfs/dbraw/zinc/30/23/55/1374302355.db2.gz FRTSXPGPULJCDL-IAGOWNOFSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261701 1388458999 /nfs/dbraw/zinc/45/89/99/1388458999.db2.gz VCZODURNIPHZCX-DLBZAZTESA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001438261701 1388459007 /nfs/dbraw/zinc/45/90/07/1388459007.db2.gz VCZODURNIPHZCX-DLBZAZTESA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001424061799 1382718514 /nfs/dbraw/zinc/71/85/14/1382718514.db2.gz FZVDRDDWJFIAEJ-OAHLLOKOSA-N 2 2 346.862 2.911 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001426116988 1383997564 /nfs/dbraw/zinc/99/75/64/1383997564.db2.gz HQIBFYQNBMQNDB-UHFFFAOYSA-N 2 2 329.916 2.640 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001426116988 1383997566 /nfs/dbraw/zinc/99/75/66/1383997566.db2.gz HQIBFYQNBMQNDB-UHFFFAOYSA-N 2 2 329.916 2.640 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001439394247 1389232709 /nfs/dbraw/zinc/23/27/09/1389232709.db2.gz VMTZIULUVQJNND-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001439394247 1389232715 /nfs/dbraw/zinc/23/27/15/1389232715.db2.gz VMTZIULUVQJNND-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001439394247 1389232725 /nfs/dbraw/zinc/23/27/25/1389232725.db2.gz VMTZIULUVQJNND-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001439394247 1389232738 /nfs/dbraw/zinc/23/27/38/1389232738.db2.gz VMTZIULUVQJNND-RDJZCZTQSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001506884527 1406402100 /nfs/dbraw/zinc/40/21/00/1406402100.db2.gz SWWKFTONMCEYSU-JCNLHEQBSA-N 2 2 326.444 2.707 10 30 EFEELP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001447942369 1391840822 /nfs/dbraw/zinc/84/08/22/1391840822.db2.gz OHXZQHZYNIRIER-YGONEPDPSA-N 2 2 338.883 2.700 10 30 EFEELP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001447942369 1391840836 /nfs/dbraw/zinc/84/08/36/1391840836.db2.gz OHXZQHZYNIRIER-YGONEPDPSA-N 2 2 338.883 2.700 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001448147111 1391987922 /nfs/dbraw/zinc/98/79/22/1391987922.db2.gz VSQQBSXWUZXFLQ-CVEARBPZSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001448147111 1391987929 /nfs/dbraw/zinc/98/79/29/1391987929.db2.gz VSQQBSXWUZXFLQ-CVEARBPZSA-N 2 2 329.916 2.686 10 30 EFEELP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001507031493 1406616571 /nfs/dbraw/zinc/61/65/71/1406616571.db2.gz ZJJJCVFUGLMGOX-GOSISDBHSA-N 2 2 340.471 2.588 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461545385 1396388158 /nfs/dbraw/zinc/38/81/58/1396388158.db2.gz CIEQCKCTGXTUCN-UHFFFAOYSA-N 2 2 327.384 2.900 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461545385 1396388165 /nfs/dbraw/zinc/38/81/65/1396388165.db2.gz CIEQCKCTGXTUCN-UHFFFAOYSA-N 2 2 327.384 2.900 10 30 EFEELP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001507319932 1406884194 /nfs/dbraw/zinc/88/41/94/1406884194.db2.gz VXZOVJCEYDVTFF-PBHICJAKSA-N 2 2 326.444 2.802 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479518934 1397746520 /nfs/dbraw/zinc/74/65/20/1397746520.db2.gz FNJHGWPMJQRABC-BBRMVZONSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479518934 1397746522 /nfs/dbraw/zinc/74/65/22/1397746522.db2.gz FNJHGWPMJQRABC-BBRMVZONSA-N 2 2 338.883 2.702 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744769 1397800888 /nfs/dbraw/zinc/80/08/88/1397800888.db2.gz IDKJMFVCFKERHS-CVEARBPZSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744769 1397800893 /nfs/dbraw/zinc/80/08/93/1397800893.db2.gz IDKJMFVCFKERHS-CVEARBPZSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC001479747621 1397809036 /nfs/dbraw/zinc/80/90/36/1397809036.db2.gz CEDLVDCYTWZYJH-QGZVFWFLSA-N 2 2 346.519 2.926 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC001479747621 1397809041 /nfs/dbraw/zinc/80/90/41/1397809041.db2.gz CEDLVDCYTWZYJH-QGZVFWFLSA-N 2 2 346.519 2.926 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480080117 1398113987 /nfs/dbraw/zinc/11/39/87/1398113987.db2.gz SWMGGQRXVYRCKK-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480080117 1398113991 /nfs/dbraw/zinc/11/39/91/1398113991.db2.gz SWMGGQRXVYRCKK-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001493121119 1398459863 /nfs/dbraw/zinc/45/98/63/1398459863.db2.gz RDJSDNOWIMAVOD-ZWKOTPCHSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001493121119 1398459864 /nfs/dbraw/zinc/45/98/64/1398459864.db2.gz RDJSDNOWIMAVOD-ZWKOTPCHSA-N 2 2 346.519 2.997 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493211975 1398537183 /nfs/dbraw/zinc/53/71/83/1398537183.db2.gz BTMOYUGAHJJVPN-ROUUACIJSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493211975 1398537184 /nfs/dbraw/zinc/53/71/84/1398537184.db2.gz BTMOYUGAHJJVPN-ROUUACIJSA-N 2 2 332.492 2.875 10 30 EFEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001493831135 1398910221 /nfs/dbraw/zinc/91/02/21/1398910221.db2.gz RDILDAGFCPKUPT-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001493954443 1399004858 /nfs/dbraw/zinc/00/48/58/1399004858.db2.gz CCMXUWIVTUMJOM-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001493954443 1399004861 /nfs/dbraw/zinc/00/48/61/1399004861.db2.gz CCMXUWIVTUMJOM-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001493954438 1399004946 /nfs/dbraw/zinc/00/49/46/1399004946.db2.gz CCMXUWIVTUMJOM-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001493954438 1399004954 /nfs/dbraw/zinc/00/49/54/1399004954.db2.gz CCMXUWIVTUMJOM-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001494143500 1399163953 /nfs/dbraw/zinc/16/39/53/1399163953.db2.gz BBDRSLLEEICGDA-ROUUACIJSA-N 2 2 332.492 2.827 10 30 EFEELP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001494143500 1399163957 /nfs/dbraw/zinc/16/39/57/1399163957.db2.gz BBDRSLLEEICGDA-ROUUACIJSA-N 2 2 332.492 2.827 10 30 EFEELP C=CC[NH2+]C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@H]1C ZINC001495319799 1399836671 /nfs/dbraw/zinc/83/66/71/1399836671.db2.gz RTKUXTRHHTYXKP-UZLBHIALSA-N 2 2 344.503 2.603 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001495458571 1399998352 /nfs/dbraw/zinc/99/83/52/1399998352.db2.gz SMDMJHAQRCTCPQ-MHORFTMASA-N 2 2 344.503 2.817 10 30 EFEELP C=CCOCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001495926847 1400359437 /nfs/dbraw/zinc/35/94/37/1400359437.db2.gz CUXJFXVRFJWOAV-UHFFFAOYSA-N 2 2 345.487 2.842 10 30 EFEELP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001495980096 1400397235 /nfs/dbraw/zinc/39/72/35/1400397235.db2.gz BJSCMORKWRYETL-UHFFFAOYSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001496562730 1400829846 /nfs/dbraw/zinc/82/98/46/1400829846.db2.gz UHQQGGVAQHAGNK-QGZVFWFLSA-N 2 2 328.460 2.953 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498490442 1402142307 /nfs/dbraw/zinc/14/23/07/1402142307.db2.gz YJEUEGIMVJAPJC-IRXDYDNUSA-N 2 2 332.492 2.767 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1CC ZINC001498890541 1402362278 /nfs/dbraw/zinc/36/22/78/1402362278.db2.gz RUXJJHLJERJTDP-AEFFLSMTSA-N 2 2 345.487 2.816 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001499570672 1402689959 /nfs/dbraw/zinc/68/99/59/1402689959.db2.gz SKLLJLJBKCORLI-IBGZPJMESA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001499570672 1402689961 /nfs/dbraw/zinc/68/99/61/1402689961.db2.gz SKLLJLJBKCORLI-IBGZPJMESA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001499570672 1402689968 /nfs/dbraw/zinc/68/99/68/1402689968.db2.gz SKLLJLJBKCORLI-IBGZPJMESA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001499570672 1402689969 /nfs/dbraw/zinc/68/99/69/1402689969.db2.gz SKLLJLJBKCORLI-IBGZPJMESA-N 2 2 330.476 2.623 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001508081633 1407287269 /nfs/dbraw/zinc/28/72/69/1407287269.db2.gz PNTCQEXCPFUDHZ-HOTGVXAUSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001508081633 1407287273 /nfs/dbraw/zinc/28/72/73/1407287273.db2.gz PNTCQEXCPFUDHZ-HOTGVXAUSA-N 2 2 332.492 2.771 10 30 EFEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC001500060449 1402918011 /nfs/dbraw/zinc/91/80/11/1402918011.db2.gz QEJMVHDLBGPKBI-HXUWFJFHSA-N 2 2 348.450 2.749 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500265477 1403016849 /nfs/dbraw/zinc/01/68/49/1403016849.db2.gz SDGQUPWWXCTJMN-NVXWUHKLSA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500265477 1403016854 /nfs/dbraw/zinc/01/68/54/1403016854.db2.gz SDGQUPWWXCTJMN-NVXWUHKLSA-N 2 2 327.900 2.584 10 30 EFEELP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001500430910 1403117419 /nfs/dbraw/zinc/11/74/19/1403117419.db2.gz BROWUTZPXYLEDV-QGZVFWFLSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001500460217 1403137717 /nfs/dbraw/zinc/13/77/17/1403137717.db2.gz YYVAFWSLRPEZHA-UHFFFAOYSA-N 2 2 332.492 2.537 10 30 EFEELP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001508165927 1407325789 /nfs/dbraw/zinc/32/57/89/1407325789.db2.gz MUHCDGNMFXYGQH-MRXNPFEDSA-N 2 2 344.503 2.915 10 30 EFEELP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001508165927 1407325795 /nfs/dbraw/zinc/32/57/95/1407325795.db2.gz MUHCDGNMFXYGQH-MRXNPFEDSA-N 2 2 344.503 2.915 10 30 EFEELP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001501679501 1403711068 /nfs/dbraw/zinc/71/10/68/1403711068.db2.gz QSVMRVSPVKEIAQ-HNNXBMFYSA-N 2 2 332.407 2.548 10 30 EFEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001505397316 1404548583 /nfs/dbraw/zinc/54/85/83/1404548583.db2.gz AXXBURRHJZPISA-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001505397316 1404548588 /nfs/dbraw/zinc/54/85/88/1404548588.db2.gz AXXBURRHJZPISA-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001505497798 1404727906 /nfs/dbraw/zinc/72/79/06/1404727906.db2.gz QBZSBSMURXSEIJ-KLAILNCOSA-N 2 2 344.503 2.601 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001725751994 1425818026 /nfs/dbraw/zinc/81/80/26/1425818026.db2.gz OZDNREWNZLXQDI-BFYDXBDKSA-N 2 2 332.492 2.610 10 30 EFEELP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC001560313707 1415275916 /nfs/dbraw/zinc/27/59/16/1415275916.db2.gz ONQWPYVIRADNMY-UHFFFAOYSA-N 2 2 340.370 2.757 10 30 EFEELP C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001560795150 1415297061 /nfs/dbraw/zinc/29/70/61/1415297061.db2.gz NNIFKWGTQYBITI-LJQANCHMSA-N 2 2 330.472 2.938 10 30 EFEELP C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001560795150 1415297069 /nfs/dbraw/zinc/29/70/69/1415297069.db2.gz NNIFKWGTQYBITI-LJQANCHMSA-N 2 2 330.472 2.938 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001565972534 1415467156 /nfs/dbraw/zinc/46/71/56/1415467156.db2.gz FDHZGDQLZKQRTM-XMTFNYHQSA-N 2 2 344.503 2.707 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001565994740 1415475000 /nfs/dbraw/zinc/47/50/00/1415475000.db2.gz JWRHWNZGXBVUAO-OLMNPRSZSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001565994740 1415475011 /nfs/dbraw/zinc/47/50/11/1415475011.db2.gz JWRHWNZGXBVUAO-OLMNPRSZSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001566071147 1415503293 /nfs/dbraw/zinc/50/32/93/1415503293.db2.gz LPVQRNNXNSGHCB-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001566531492 1415619370 /nfs/dbraw/zinc/61/93/70/1415619370.db2.gz ZMCXOYWFEHJUAT-AEFFLSMTSA-N 2 2 338.455 2.639 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001566609435 1415693670 /nfs/dbraw/zinc/69/36/70/1415693670.db2.gz VJJJLOHKTHCTAU-INIZCTEOSA-N 2 2 345.487 2.910 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001566615508 1415697194 /nfs/dbraw/zinc/69/71/94/1415697194.db2.gz MKOCCURHAJCQBX-QGZVFWFLSA-N 2 2 332.492 2.941 10 30 EFEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001566756273 1415763902 /nfs/dbraw/zinc/76/39/02/1415763902.db2.gz KDVMCAKKCIYNII-OTWHNJEPSA-N 2 2 327.472 2.541 10 30 EFEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001566756273 1415763907 /nfs/dbraw/zinc/76/39/07/1415763907.db2.gz KDVMCAKKCIYNII-OTWHNJEPSA-N 2 2 327.472 2.541 10 30 EFEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001566756273 1415763911 /nfs/dbraw/zinc/76/39/11/1415763911.db2.gz KDVMCAKKCIYNII-OTWHNJEPSA-N 2 2 327.472 2.541 10 30 EFEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001566756273 1415763919 /nfs/dbraw/zinc/76/39/19/1415763919.db2.gz KDVMCAKKCIYNII-OTWHNJEPSA-N 2 2 327.472 2.541 10 30 EFEELP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001566921176 1415846943 /nfs/dbraw/zinc/84/69/43/1415846943.db2.gz IGJHHPMKXNJFDO-SFHVURJKSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001566921176 1415846949 /nfs/dbraw/zinc/84/69/49/1415846949.db2.gz IGJHHPMKXNJFDO-SFHVURJKSA-N 2 2 344.503 2.699 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566966846 1415879454 /nfs/dbraw/zinc/87/94/54/1415879454.db2.gz ABGFVJGWDCXWAS-MSOLQXFVSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566966846 1415879458 /nfs/dbraw/zinc/87/94/58/1415879458.db2.gz ABGFVJGWDCXWAS-MSOLQXFVSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001568019847 1416362553 /nfs/dbraw/zinc/36/25/53/1416362553.db2.gz JZYPIEKBRFWHMM-IBGZPJMESA-N 2 2 326.444 2.707 10 30 EFEELP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001568063704 1416387713 /nfs/dbraw/zinc/38/77/13/1416387713.db2.gz RJWKXRWVNZORGK-GOSISDBHSA-N 2 2 327.472 2.862 10 30 EFEELP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001568063705 1416387831 /nfs/dbraw/zinc/38/78/31/1416387831.db2.gz RJWKXRWVNZORGK-SFHVURJKSA-N 2 2 327.472 2.862 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001568069343 1416392751 /nfs/dbraw/zinc/39/27/51/1416392751.db2.gz MHXNILFLLGQVSG-HZPDHXFCSA-N 2 2 338.883 2.805 10 30 EFEELP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568141568 1416424027 /nfs/dbraw/zinc/42/40/27/1416424027.db2.gz XOMQDNZPQVYSEE-IEBWSBKVSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001568409081 1416519620 /nfs/dbraw/zinc/51/96/20/1416519620.db2.gz IMRCSMLQGMGISL-CVEARBPZSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001568409082 1416519735 /nfs/dbraw/zinc/51/97/35/1416519735.db2.gz IMRCSMLQGMGISL-HOTGVXAUSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001568426681 1416528872 /nfs/dbraw/zinc/52/88/72/1416528872.db2.gz KBSLYYGNIJGATO-DOTOQJQBSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCCCCC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001690029573 1417139185 /nfs/dbraw/zinc/13/91/85/1417139185.db2.gz HJKXTMYNWBTFRV-UHFFFAOYSA-N 2 2 332.492 2.930 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001690096558 1417152089 /nfs/dbraw/zinc/15/20/89/1417152089.db2.gz LSXPAAHAEYYTKQ-DLBZAZTESA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001690096558 1417152093 /nfs/dbraw/zinc/15/20/93/1417152093.db2.gz LSXPAAHAEYYTKQ-DLBZAZTESA-N 2 2 332.492 2.606 10 30 EFEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190804 1417170889 /nfs/dbraw/zinc/17/08/89/1417170889.db2.gz FRUVJAZOFHVTRJ-OAHLLOKOSA-N 2 2 326.444 2.923 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690190804 1417170894 /nfs/dbraw/zinc/17/08/94/1417170894.db2.gz FRUVJAZOFHVTRJ-OAHLLOKOSA-N 2 2 326.444 2.923 10 30 EFEELP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001690719612 1417230876 /nfs/dbraw/zinc/23/08/76/1417230876.db2.gz VJTHORDSRPOVRY-ZWKOTPCHSA-N 2 2 346.519 2.854 10 30 EFEELP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690811734 1417242499 /nfs/dbraw/zinc/24/24/99/1417242499.db2.gz YEVDHQJXRMXIGY-QGZVFWFLSA-N 2 2 326.444 2.755 10 30 EFEELP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 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JOKVMNSHQZIZHV-OAHLLOKOSA-N 2 2 326.444 2.885 10 30 EFEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717115208 1419219169 /nfs/dbraw/zinc/21/91/69/1419219169.db2.gz JOKVMNSHQZIZHV-OAHLLOKOSA-N 2 2 326.444 2.885 10 30 EFEELP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)Cc3[nH]cc[nH+]3)cccc2C1 ZINC001717143231 1419234692 /nfs/dbraw/zinc/23/46/92/1419234692.db2.gz CBNDXFVJMIPWJW-UHFFFAOYSA-N 2 2 338.455 2.593 10 30 EFEELP C=C(C)CC[N@H+]1CCc2c(CNC(=O)Cc3[nH]cc[nH+]3)cccc2C1 ZINC001717143231 1419234695 /nfs/dbraw/zinc/23/46/95/1419234695.db2.gz CBNDXFVJMIPWJW-UHFFFAOYSA-N 2 2 338.455 2.593 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247023 1419290041 /nfs/dbraw/zinc/29/00/41/1419290041.db2.gz AWAAHZARQJLVOS-APWZRJJASA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247023 1419290042 /nfs/dbraw/zinc/29/00/42/1419290042.db2.gz AWAAHZARQJLVOS-APWZRJJASA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247024 1419290347 /nfs/dbraw/zinc/29/03/47/1419290347.db2.gz AWAAHZARQJLVOS-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247024 1419290352 /nfs/dbraw/zinc/29/03/52/1419290352.db2.gz AWAAHZARQJLVOS-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001717628700 1419477239 /nfs/dbraw/zinc/47/72/39/1419477239.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001717628700 1419477240 /nfs/dbraw/zinc/47/72/40/1419477240.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001717628700 1419477241 /nfs/dbraw/zinc/47/72/41/1419477241.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001717628700 1419477243 /nfs/dbraw/zinc/47/72/43/1419477243.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001717632756 1419480574 /nfs/dbraw/zinc/48/05/74/1419480574.db2.gz SPCKBDALTAMBKP-AHRSYUTCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001717632756 1419480575 /nfs/dbraw/zinc/48/05/75/1419480575.db2.gz SPCKBDALTAMBKP-AHRSYUTCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001717632756 1419480577 /nfs/dbraw/zinc/48/05/77/1419480577.db2.gz SPCKBDALTAMBKP-AHRSYUTCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001717632756 1419480578 /nfs/dbraw/zinc/48/05/78/1419480578.db2.gz SPCKBDALTAMBKP-AHRSYUTCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001717740727 1419532069 /nfs/dbraw/zinc/53/20/69/1419532069.db2.gz VKLPNXPGRLYWQX-KRWDZBQOSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001717854803 1419583117 /nfs/dbraw/zinc/58/31/17/1419583117.db2.gz YXCCUWHXSUYFOQ-DLBZAZTESA-N 2 2 332.492 2.862 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001717854803 1419583120 /nfs/dbraw/zinc/58/31/20/1419583120.db2.gz YXCCUWHXSUYFOQ-DLBZAZTESA-N 2 2 332.492 2.862 10 30 EFEELP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001717993709 1419647376 /nfs/dbraw/zinc/64/73/76/1419647376.db2.gz BINMFSJGQCKJNW-WWDZGPRUSA-N 2 2 344.503 2.771 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(F)c1 ZINC001718034714 1419672530 /nfs/dbraw/zinc/67/25/30/1419672530.db2.gz OYWVYJGLOIDLES-HZPDHXFCSA-N 2 2 342.418 2.634 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(F)c1 ZINC001718034714 1419672533 /nfs/dbraw/zinc/67/25/33/1419672533.db2.gz OYWVYJGLOIDLES-HZPDHXFCSA-N 2 2 342.418 2.634 10 30 EFEELP C=CC[NH2+]Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)c(F)c1 ZINC001718034747 1419672546 /nfs/dbraw/zinc/67/25/46/1419672546.db2.gz QOZHISDMQWHWQJ-UHFFFAOYSA-N 2 2 338.386 2.679 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(F)c1 ZINC001718037320 1419674639 /nfs/dbraw/zinc/67/46/39/1419674639.db2.gz VMMBTROJGPGXIV-OAHLLOKOSA-N 2 2 344.434 2.955 10 30 EFEELP CC#CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CCCCCC1 ZINC001723639862 1424544114 /nfs/dbraw/zinc/54/41/14/1424544114.db2.gz GURUJAIKQCBMKL-UHFFFAOYSA-N 2 2 344.503 2.517 10 30 EFEELP CC#CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CCCCCC1 ZINC001723639862 1424544123 /nfs/dbraw/zinc/54/41/23/1424544123.db2.gz GURUJAIKQCBMKL-UHFFFAOYSA-N 2 2 344.503 2.517 10 30 EFEELP CC#CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001723641355 1424545429 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EFEELP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001723718952 1424566738 /nfs/dbraw/zinc/56/67/38/1424566738.db2.gz MZWBUNHMOJFUJQ-AZUAARDMSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721180 1424567816 /nfs/dbraw/zinc/56/78/16/1424567816.db2.gz JNVCTAQSSMVZCV-IEBWSBKVSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721180 1424567821 /nfs/dbraw/zinc/56/78/21/1424567821.db2.gz JNVCTAQSSMVZCV-IEBWSBKVSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001723726579 1424570345 /nfs/dbraw/zinc/57/03/45/1424570345.db2.gz IOIJFWVLMMXBDA-FXAWDEMLSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001723726579 1424570352 /nfs/dbraw/zinc/57/03/52/1424570352.db2.gz IOIJFWVLMMXBDA-FXAWDEMLSA-N 2 2 344.503 2.632 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001723906050 1424607984 /nfs/dbraw/zinc/60/79/84/1424607984.db2.gz IRDOVGGHNOZDKT-KRWDZBQOSA-N 2 2 326.444 2.803 10 30 EFEELP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001724054063 1424638339 /nfs/dbraw/zinc/63/83/39/1424638339.db2.gz VILDLESJUWSQPO-AATRIKPKSA-N 2 2 342.487 2.556 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001724125873 1424668346 /nfs/dbraw/zinc/66/83/46/1424668346.db2.gz LIMBLOVLRYEVJQ-FQEVSTJZSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001724125873 1424668350 /nfs/dbraw/zinc/66/83/50/1424668350.db2.gz LIMBLOVLRYEVJQ-FQEVSTJZSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001724162526 1424683049 /nfs/dbraw/zinc/68/30/49/1424683049.db2.gz PSXAZJGLBZNUJO-PXNSSMCTSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001724162526 1424683053 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UEIANULOZRQUGN-IPMKNSEASA-N 2 2 344.503 2.969 10 30 EFEELP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001724658124 1424898529 /nfs/dbraw/zinc/89/85/29/1424898529.db2.gz UEIANULOZRQUGN-IPMKNSEASA-N 2 2 344.503 2.969 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001724780368 1425007987 /nfs/dbraw/zinc/00/79/87/1425007987.db2.gz CGMGAHRQNUCORU-FUHWJXTLSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898415 1425117616 /nfs/dbraw/zinc/11/76/16/1425117616.db2.gz LSMWYUWHQIKNAA-JXFKEZNVSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898415 1425117620 /nfs/dbraw/zinc/11/76/20/1425117620.db2.gz LSMWYUWHQIKNAA-JXFKEZNVSA-N 2 2 344.503 2.930 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725038055 1425247983 /nfs/dbraw/zinc/24/79/83/1425247983.db2.gz BYHSVZVIJLZXGE-QZTJIDSGSA-N 2 2 332.492 2.969 10 30 EFEELP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725038055 1425247988 /nfs/dbraw/zinc/24/79/88/1425247988.db2.gz BYHSVZVIJLZXGE-QZTJIDSGSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001725129540 1425319987 /nfs/dbraw/zinc/31/99/87/1425319987.db2.gz AHESEGKYSLFUJN-AOCRQIFASA-N 2 2 344.503 2.771 10 30 EFEELP CC#CC[NH2+][C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001725211274 1425380472 /nfs/dbraw/zinc/38/04/72/1425380472.db2.gz IYXHSTOXPDMMSP-MRXNPFEDSA-N 2 2 326.444 2.663 10 30 EFEELP C=C(C)C[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001725443620 1425585918 /nfs/dbraw/zinc/58/59/18/1425585918.db2.gz YYKCLKCILMLWSE-QGZVFWFLSA-N 2 2 328.460 2.953 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001725763411 1425830516 /nfs/dbraw/zinc/83/05/16/1425830516.db2.gz VLLFACMCKLMQAR-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850045 728284597 /nfs/dbraw/zinc/28/45/97/728284597.db2.gz AEDUFMMYPAIHCT-SJLPKXTDSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850045 728284599 /nfs/dbraw/zinc/28/45/99/728284599.db2.gz AEDUFMMYPAIHCT-SJLPKXTDSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001569436013 1085208011 /nfs/dbraw/zinc/20/80/11/1085208011.db2.gz DFQAHJLQROHBNR-RBUKOAKNSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001569436013 1085208018 /nfs/dbraw/zinc/20/80/18/1085208018.db2.gz DFQAHJLQROHBNR-RBUKOAKNSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001569436014 1085209406 /nfs/dbraw/zinc/20/94/06/1085209406.db2.gz DFQAHJLQROHBNR-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001569436014 1085209414 /nfs/dbraw/zinc/20/94/14/1085209414.db2.gz DFQAHJLQROHBNR-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001569437660 1085217416 /nfs/dbraw/zinc/21/74/16/1085217416.db2.gz XNNJTQQWMXRRHG-SJLPKXTDSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001569437660 1085217420 /nfs/dbraw/zinc/21/74/20/1085217420.db2.gz XNNJTQQWMXRRHG-SJLPKXTDSA-N 2 2 344.503 2.867 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001569604401 1085430614 /nfs/dbraw/zinc/43/06/14/1085430614.db2.gz RLUSHUHTIUVEKR-GOSISDBHSA-N 2 2 344.503 2.603 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001569702187 1085532037 /nfs/dbraw/zinc/53/20/37/1085532037.db2.gz RRWOITUAZRKTCD-KRWDZBQOSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001569705706 1085535237 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ROVRUESDZAMYHO-IPMKNSEASA-N 2 2 342.487 2.559 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001569986604 1085822120 /nfs/dbraw/zinc/82/21/20/1085822120.db2.gz JXDUEVHZONKEEV-KRWDZBQOSA-N 2 2 332.492 2.721 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001570031753 1085884069 /nfs/dbraw/zinc/88/40/69/1085884069.db2.gz UJEWDFAVFAQZKB-HNNXBMFYSA-N 2 2 339.439 2.786 10 30 EFEELP CC#CC[NH2+]C1(CC)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001570255274 1086091834 /nfs/dbraw/zinc/09/18/34/1086091834.db2.gz XGNRVSDNNRFGKN-UHFFFAOYSA-N 2 2 338.455 2.640 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395898 1086199738 /nfs/dbraw/zinc/19/97/38/1086199738.db2.gz SKVIRUOCAWHOKK-DLBZAZTESA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395898 1086199741 /nfs/dbraw/zinc/19/97/41/1086199741.db2.gz SKVIRUOCAWHOKK-DLBZAZTESA-N 2 2 344.503 2.628 10 30 EFEELP 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XVZCROZBWLFSMQ-BBRMVZONSA-N 2 2 338.883 2.702 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296469 1093502258 /nfs/dbraw/zinc/50/22/58/1093502258.db2.gz OGZZUZPFSQYYNY-QZTJIDSGSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296469 1093502264 /nfs/dbraw/zinc/50/22/64/1093502264.db2.gz OGZZUZPFSQYYNY-QZTJIDSGSA-N 2 2 344.503 2.630 10 30 EFEELP CC#CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001267361757 1094310361 /nfs/dbraw/zinc/31/03/61/1094310361.db2.gz HBBZDTFEAMNYNY-LJQANCHMSA-N 2 2 332.407 2.647 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001268046761 1094876675 /nfs/dbraw/zinc/87/66/75/1094876675.db2.gz JQSIMGBCLYZUMT-QGZVFWFLSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001267489555 1094930223 /nfs/dbraw/zinc/93/02/23/1094930223.db2.gz UXWOQKRGZDQHMI-HNNXBMFYSA-N 2 2 326.444 2.741 10 30 EFEELP 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ZDYKTCBYVBQIPC-LJQANCHMSA-N 2 2 332.492 2.537 10 30 EFEELP C=CCOCC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484530933 1112985080 /nfs/dbraw/zinc/98/50/80/1112985080.db2.gz IAHRRCGCBBAHQY-GOSISDBHSA-N 2 2 345.487 2.651 10 30 EFEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001484558830 1113013217 /nfs/dbraw/zinc/01/32/17/1113013217.db2.gz LJFSFOSHYLUFAD-MRXNPFEDSA-N 2 2 338.455 2.527 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484569375 1113028250 /nfs/dbraw/zinc/02/82/50/1113028250.db2.gz CCNABSWQHQUCDL-BZSNNMDCSA-N 2 2 344.503 2.676 10 30 EFEELP C=CC[NH+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001484578280 1113043023 /nfs/dbraw/zinc/04/30/23/1113043023.db2.gz HVVSARGKVFNLFQ-KRWDZBQOSA-N 2 2 330.476 2.581 10 30 EFEELP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485062007 1118003342 /nfs/dbraw/zinc/00/33/42/1118003342.db2.gz WIESGCYDHHTRLU-IBGZPJMESA-N 2 2 338.455 2.985 10 30 EFEELP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485062007 1118003348 /nfs/dbraw/zinc/00/33/48/1118003348.db2.gz WIESGCYDHHTRLU-IBGZPJMESA-N 2 2 338.455 2.985 10 30 EFEELP C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001485569805 1118456715 /nfs/dbraw/zinc/45/67/15/1118456715.db2.gz OJXQLJUFANHBPG-INIZCTEOSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001485569805 1118456717 /nfs/dbraw/zinc/45/67/17/1118456717.db2.gz OJXQLJUFANHBPG-INIZCTEOSA-N 2 2 332.492 2.719 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847407 1118639718 /nfs/dbraw/zinc/63/97/18/1118639718.db2.gz WSZKMDVFFOMSMR-SJLPKXTDSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847407 1118639719 /nfs/dbraw/zinc/63/97/19/1118639719.db2.gz WSZKMDVFFOMSMR-SJLPKXTDSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485820120 1120222482 /nfs/dbraw/zinc/22/24/82/1120222482.db2.gz OPIQDKDRGVPUML-LJQANCHMSA-N 2 2 338.455 2.889 10 30 EFEELP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000187679149 236275301 /nfs/dbraw/zinc/27/53/01/236275301.db2.gz DVRSOXHQOLXMQN-XLIONFOSSA-N 2 2 326.488 2.721 10 30 EFEELP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000187679149 236275302 /nfs/dbraw/zinc/27/53/02/236275302.db2.gz DVRSOXHQOLXMQN-XLIONFOSSA-N 2 2 326.488 2.721 10 30 EFEELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1C ZINC000173528210 239193521 /nfs/dbraw/zinc/19/35/21/239193521.db2.gz NZVBEQZBGRPGKD-GJZGRUSLSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1C ZINC000173528210 239193525 /nfs/dbraw/zinc/19/35/25/239193525.db2.gz NZVBEQZBGRPGKD-GJZGRUSLSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528210 239193528 /nfs/dbraw/zinc/19/35/28/239193528.db2.gz NZVBEQZBGRPGKD-GJZGRUSLSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528210 239193533 /nfs/dbraw/zinc/19/35/33/239193533.db2.gz NZVBEQZBGRPGKD-GJZGRUSLSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1C ZINC000173528195 239193627 /nfs/dbraw/zinc/19/36/27/239193627.db2.gz NZVBEQZBGRPGKD-CABCVRRESA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1C ZINC000173528195 239193630 /nfs/dbraw/zinc/19/36/30/239193630.db2.gz NZVBEQZBGRPGKD-CABCVRRESA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528195 239193634 /nfs/dbraw/zinc/19/36/34/239193634.db2.gz NZVBEQZBGRPGKD-CABCVRRESA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528195 239193638 /nfs/dbraw/zinc/19/36/38/239193638.db2.gz NZVBEQZBGRPGKD-CABCVRRESA-N 2 2 346.500 2.655 10 30 EFEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000195249938 240212531 /nfs/dbraw/zinc/21/25/31/240212531.db2.gz FCYYVIRHXDDPKF-HNNXBMFYSA-N 2 2 338.546 2.852 10 30 EFEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000195249938 240212534 /nfs/dbraw/zinc/21/25/34/240212534.db2.gz FCYYVIRHXDDPKF-HNNXBMFYSA-N 2 2 338.546 2.852 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000195249938 240212535 /nfs/dbraw/zinc/21/25/35/240212535.db2.gz FCYYVIRHXDDPKF-HNNXBMFYSA-N 2 2 338.546 2.852 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000195249938 240212539 /nfs/dbraw/zinc/21/25/39/240212539.db2.gz FCYYVIRHXDDPKF-HNNXBMFYSA-N 2 2 338.546 2.852 10 30 EFEELP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261673196 240316161 /nfs/dbraw/zinc/31/61/61/240316161.db2.gz GZGBZEHXWBTSRE-IYBDPMFKSA-N 2 2 325.460 2.574 10 30 EFEELP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000328622441 241208911 /nfs/dbraw/zinc/20/89/11/241208911.db2.gz YEXXRMUGEQUJJG-DLBZAZTESA-N 2 2 345.491 2.625 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CCC2 ZINC000328641468 241210201 /nfs/dbraw/zinc/21/02/01/241210201.db2.gz DHKGVWDATKLOAP-DOTOQJQBSA-N 2 2 346.475 2.669 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CCC2 ZINC000328641659 241210231 /nfs/dbraw/zinc/21/02/31/241210231.db2.gz DHKGVWDATKLOAP-RDJZCZTQSA-N 2 2 346.475 2.669 10 30 EFEELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329407057 241362140 /nfs/dbraw/zinc/36/21/40/241362140.db2.gz ZNDNYBPYWBNOMN-DOMZBBRYSA-N 2 2 347.850 2.570 10 30 EFEELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329407057 241362143 /nfs/dbraw/zinc/36/21/43/241362143.db2.gz ZNDNYBPYWBNOMN-DOMZBBRYSA-N 2 2 347.850 2.570 10 30 EFEELP Cc1cc(C)c(NC(=O)N2CC[NH+](CCOC(C)C)CC2)c(C)[nH+]1 ZINC000331311605 241623722 /nfs/dbraw/zinc/62/37/22/241623722.db2.gz HSNTWJFURUSZGU-UHFFFAOYSA-N 2 2 334.464 2.595 10 30 EFEELP C[N@H+](CC#Cc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000364582362 242303225 /nfs/dbraw/zinc/30/32/25/242303225.db2.gz LPGPBYZRLGSFKR-QFIPXVFZSA-N 2 2 334.463 2.607 10 30 EFEELP C[N@@H+](CC#Cc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000364582362 242303227 /nfs/dbraw/zinc/30/32/27/242303227.db2.gz LPGPBYZRLGSFKR-QFIPXVFZSA-N 2 2 334.463 2.607 10 30 EFEELP C[NH+](CC#Cc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000364582362 242303231 /nfs/dbraw/zinc/30/32/31/242303231.db2.gz LPGPBYZRLGSFKR-QFIPXVFZSA-N 2 2 334.463 2.607 10 30 EFEELP C[NH+](CC#Cc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000364582362 242303233 /nfs/dbraw/zinc/30/32/33/242303233.db2.gz LPGPBYZRLGSFKR-QFIPXVFZSA-N 2 2 334.463 2.607 10 30 EFEELP C=CC[C@@H](CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000370003834 242433046 /nfs/dbraw/zinc/43/30/46/242433046.db2.gz CNONLHSDSMGDTK-QGZVFWFLSA-N 2 2 336.524 2.591 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461087 217227494 /nfs/dbraw/zinc/22/74/94/217227494.db2.gz BBSWJWVAMAGVEF-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461087 217227497 /nfs/dbraw/zinc/22/74/97/217227497.db2.gz BBSWJWVAMAGVEF-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461087 217227500 /nfs/dbraw/zinc/22/75/00/217227500.db2.gz BBSWJWVAMAGVEF-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000079461087 217227504 /nfs/dbraw/zinc/22/75/04/217227504.db2.gz BBSWJWVAMAGVEF-PBHICJAKSA-N 2 2 339.443 2.770 10 30 EFEELP C=CCNC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441379345 250026689 /nfs/dbraw/zinc/02/66/89/250026689.db2.gz PAHSADBRCSWVPS-WMZOPIPTSA-N 2 2 326.444 2.522 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(C#N)c2)CCC[N@@H+]1C1CC1 ZINC000343467329 142003946 /nfs/dbraw/zinc/00/39/46/142003946.db2.gz WYFGFOIYGMGKQM-GHTZIAJQSA-N 2 2 349.482 2.997 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(C#N)c2)CCC[N@H+]1C1CC1 ZINC000343467329 142003947 /nfs/dbraw/zinc/00/39/47/142003947.db2.gz WYFGFOIYGMGKQM-GHTZIAJQSA-N 2 2 349.482 2.997 10 30 EFEELP N#Cc1csc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000352826098 146325427 /nfs/dbraw/zinc/32/54/27/146325427.db2.gz VSOYJRPDTRJSQC-MRXNPFEDSA-N 2 2 326.469 2.669 10 30 EFEELP N#Cc1csc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000352826098 146325430 /nfs/dbraw/zinc/32/54/30/146325430.db2.gz VSOYJRPDTRJSQC-MRXNPFEDSA-N 2 2 326.469 2.669 10 30 EFEELP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000352826093 146325582 /nfs/dbraw/zinc/32/55/82/146325582.db2.gz VSOYJRPDTRJSQC-INIZCTEOSA-N 2 2 326.469 2.669 10 30 EFEELP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000352826093 146325583 /nfs/dbraw/zinc/32/55/83/146325583.db2.gz VSOYJRPDTRJSQC-INIZCTEOSA-N 2 2 326.469 2.669 10 30 EFEELP N#Cc1csc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000352828068 146326208 /nfs/dbraw/zinc/32/62/08/146326208.db2.gz ZYOMQRKAIWQCIS-UHFFFAOYSA-N 2 2 326.469 2.811 10 30 EFEELP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000352828073 146326300 /nfs/dbraw/zinc/32/63/00/146326300.db2.gz ZZVBLPXKRXZCBT-UHFFFAOYSA-N 2 2 341.377 2.513 10 30 EFEELP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000271080313 286875376 /nfs/dbraw/zinc/87/53/76/286875376.db2.gz QXVBWDJMVZBRKH-PELRDEGISA-N 2 2 341.499 2.948 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000527738939 270034415 /nfs/dbraw/zinc/03/44/15/270034415.db2.gz LKVWNVGLAZCUCS-LJQANCHMSA-N 2 2 327.472 2.929 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252400 268222944 /nfs/dbraw/zinc/22/29/44/268222944.db2.gz GZIMXDRDZSOSBH-CRAIPNDOSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252400 268222947 /nfs/dbraw/zinc/22/29/47/268222947.db2.gz GZIMXDRDZSOSBH-CRAIPNDOSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252400 268222952 /nfs/dbraw/zinc/22/29/52/268222952.db2.gz GZIMXDRDZSOSBH-CRAIPNDOSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252400 268222954 /nfs/dbraw/zinc/22/29/54/268222954.db2.gz GZIMXDRDZSOSBH-CRAIPNDOSA-N 2 2 340.427 2.915 10 30 EFEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000182903416 277110616 /nfs/dbraw/zinc/11/06/16/277110616.db2.gz DINGYKBLTDMFIP-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000182903416 277110617 /nfs/dbraw/zinc/11/06/17/277110617.db2.gz DINGYKBLTDMFIP-HXUWFJFHSA-N 2 2 345.918 2.793 10 30 EFEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCS[C@@H](C(C)C)C1 ZINC000261659091 278168763 /nfs/dbraw/zinc/16/87/63/278168763.db2.gz ATWODBHPMAXHIB-MRXNPFEDSA-N 2 2 349.548 2.758 10 30 EFEELP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824528 324039329 /nfs/dbraw/zinc/03/93/29/324039329.db2.gz LSGPSWDJUMLSGD-HXUWFJFHSA-N 2 2 335.451 2.770 10 30 EFEELP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824528 324039333 /nfs/dbraw/zinc/03/93/33/324039333.db2.gz LSGPSWDJUMLSGD-HXUWFJFHSA-N 2 2 335.451 2.770 10 30 EFEELP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000069848777 472451712 /nfs/dbraw/zinc/45/17/12/472451712.db2.gz YCVMLBDAGKAGSZ-DOTOQJQBSA-N 2 2 343.475 2.560 10 30 EFEELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000105918407 472808834 /nfs/dbraw/zinc/80/88/34/472808834.db2.gz OJUZOUBGZTZPLQ-UHFFFAOYSA-N 2 2 333.439 2.999 10 30 EFEELP N#Cc1ccc2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2c1 ZINC000092066458 472850297 /nfs/dbraw/zinc/85/02/97/472850297.db2.gz TXYGOAIDJZJEOT-APWZRJJASA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2c1 ZINC000092066458 472850306 /nfs/dbraw/zinc/85/03/06/472850306.db2.gz TXYGOAIDJZJEOT-APWZRJJASA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000092066458 472850311 /nfs/dbraw/zinc/85/03/11/472850311.db2.gz TXYGOAIDJZJEOT-APWZRJJASA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000092066458 472850319 /nfs/dbraw/zinc/85/03/19/472850319.db2.gz TXYGOAIDJZJEOT-APWZRJJASA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000160905809 473188998 /nfs/dbraw/zinc/18/89/98/473188998.db2.gz JUICLURMDHITDV-KRWDZBQOSA-N 2 2 349.438 2.716 10 30 EFEELP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000160905809 473189005 /nfs/dbraw/zinc/18/90/05/473189005.db2.gz JUICLURMDHITDV-KRWDZBQOSA-N 2 2 349.438 2.716 10 30 EFEELP C[NH+]1CCC(CNC(=O)C2(C#N)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000172749102 473679755 /nfs/dbraw/zinc/67/97/55/473679755.db2.gz YCHWSTYHFBMWMZ-UHFFFAOYSA-N 2 2 346.519 2.527 10 30 EFEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000187297717 473854312 /nfs/dbraw/zinc/85/43/12/473854312.db2.gz YDKULBRYQIBZGO-LJQANCHMSA-N 2 2 346.906 2.814 10 30 EFEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000187297717 473854318 /nfs/dbraw/zinc/85/43/18/473854318.db2.gz YDKULBRYQIBZGO-LJQANCHMSA-N 2 2 346.906 2.814 10 30 EFEELP N#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000180549249 473902920 /nfs/dbraw/zinc/90/29/20/473902920.db2.gz RCIGPSFEEWAWCG-UHFFFAOYSA-N 2 2 336.439 2.738 10 30 EFEELP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663568 473935159 /nfs/dbraw/zinc/93/51/59/473935159.db2.gz KPCRMHBZLYKBDM-KXBFYZLASA-N 2 2 339.443 2.577 10 30 EFEELP C[N@H+](Cc1cc(C#N)cs1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190316713 474577783 /nfs/dbraw/zinc/57/77/83/474577783.db2.gz BLQQLRHAAWYONR-IBGZPJMESA-N 2 2 341.480 2.689 10 30 EFEELP C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190316713 474577786 /nfs/dbraw/zinc/57/77/86/474577786.db2.gz BLQQLRHAAWYONR-IBGZPJMESA-N 2 2 341.480 2.689 10 30 EFEELP C[NH+](Cc1cc(C#N)cs1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190316713 474577791 /nfs/dbraw/zinc/57/77/91/474577791.db2.gz BLQQLRHAAWYONR-IBGZPJMESA-N 2 2 341.480 2.689 10 30 EFEELP C[NH+](Cc1cc(C#N)cs1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190316713 474577794 /nfs/dbraw/zinc/57/77/94/474577794.db2.gz BLQQLRHAAWYONR-IBGZPJMESA-N 2 2 341.480 2.689 10 30 EFEELP C#CCCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000184767229 474603998 /nfs/dbraw/zinc/60/39/98/474603998.db2.gz QWMYSSXBQQTMJE-UHFFFAOYSA-N 2 2 336.439 2.509 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@@H+]1C1CC1 ZINC000284465768 474645998 /nfs/dbraw/zinc/64/59/98/474645998.db2.gz HUFQZMWVFHXLBM-GHTZIAJQSA-N 2 2 349.482 2.997 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@H+]1C1CC1 ZINC000284465768 474646000 /nfs/dbraw/zinc/64/60/00/474646000.db2.gz HUFQZMWVFHXLBM-GHTZIAJQSA-N 2 2 349.482 2.997 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292069436 474829222 /nfs/dbraw/zinc/82/92/22/474829222.db2.gz DKWXIWMGSQVBCH-LPHOPBHVSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292069436 474829233 /nfs/dbraw/zinc/82/92/33/474829233.db2.gz DKWXIWMGSQVBCH-LPHOPBHVSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292069436 474829244 /nfs/dbraw/zinc/82/92/44/474829244.db2.gz DKWXIWMGSQVBCH-LPHOPBHVSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292069436 474829254 /nfs/dbraw/zinc/82/92/54/474829254.db2.gz DKWXIWMGSQVBCH-LPHOPBHVSA-N 2 2 347.528 2.679 10 30 EFEELP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCCCCC1 ZINC000330279732 475222328 /nfs/dbraw/zinc/22/23/28/475222328.db2.gz RMHDKRJTRGKROX-QGZVFWFLSA-N 2 2 347.507 2.916 10 30 EFEELP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330512526 475251953 /nfs/dbraw/zinc/25/19/53/475251953.db2.gz SHGJRTSCRYQKON-GJZGRUSLSA-N 2 2 348.491 2.620 10 30 EFEELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000331327925 475339941 /nfs/dbraw/zinc/33/99/41/475339941.db2.gz PUOVSHXHFOUVST-HNNXBMFYSA-N 2 2 335.496 2.663 10 30 EFEELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000331327925 475339948 /nfs/dbraw/zinc/33/99/48/475339948.db2.gz PUOVSHXHFOUVST-HNNXBMFYSA-N 2 2 335.496 2.663 10 30 EFEELP C=C1CC[NH+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000342186358 475570610 /nfs/dbraw/zinc/57/06/10/475570610.db2.gz UTWBENFKLNPCIU-SFHVURJKSA-N 2 2 327.472 2.544 10 30 EFEELP COCCC[N@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350471670 476197986 /nfs/dbraw/zinc/19/79/86/476197986.db2.gz AWMMLQFGFVRWCZ-UHFFFAOYSA-N 2 2 329.488 2.948 10 30 EFEELP COCCC[N@@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350471670 476197993 /nfs/dbraw/zinc/19/79/93/476197993.db2.gz AWMMLQFGFVRWCZ-UHFFFAOYSA-N 2 2 329.488 2.948 10 30 EFEELP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000415004444 476906921 /nfs/dbraw/zinc/90/69/21/476906921.db2.gz HXEATKSFZJIRMI-WDEREUQCSA-N 2 2 343.265 2.848 10 30 EFEELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547237 477062118 /nfs/dbraw/zinc/06/21/18/477062118.db2.gz YFOKOCBBQURVQG-INIZCTEOSA-N 2 2 334.261 2.848 10 30 EFEELP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547237 477062126 /nfs/dbraw/zinc/06/21/26/477062126.db2.gz YFOKOCBBQURVQG-INIZCTEOSA-N 2 2 334.261 2.848 10 30 EFEELP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547237 477062131 /nfs/dbraw/zinc/06/21/31/477062131.db2.gz YFOKOCBBQURVQG-INIZCTEOSA-N 2 2 334.261 2.848 10 30 EFEELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000366547237 477062139 /nfs/dbraw/zinc/06/21/39/477062139.db2.gz YFOKOCBBQURVQG-INIZCTEOSA-N 2 2 334.261 2.848 10 30 EFEELP C=CCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000424301388 477363821 /nfs/dbraw/zinc/36/38/21/477363821.db2.gz ZUVOAMZMYIDEOM-VJDPLVQDSA-N 2 2 337.471 2.749 10 30 EFEELP C=CCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000424301388 477363822 /nfs/dbraw/zinc/36/38/22/477363822.db2.gz ZUVOAMZMYIDEOM-VJDPLVQDSA-N 2 2 337.471 2.749 10 30 EFEELP C[N@H+](Cc1ccnc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000590765828 478327400 /nfs/dbraw/zinc/32/74/00/478327400.db2.gz KWABCHFZDQYRJF-UHFFFAOYSA-N 2 2 326.366 2.802 10 30 EFEELP C[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000590765828 478327404 /nfs/dbraw/zinc/32/74/04/478327404.db2.gz KWABCHFZDQYRJF-UHFFFAOYSA-N 2 2 326.366 2.802 10 30 EFEELP C=C(C)C[N@H+](C1CCN(C(C)=O)CC1)C1CC[NH+](CC(=C)C)CC1 ZINC000521395231 478375017 /nfs/dbraw/zinc/37/50/17/478375017.db2.gz DRZYMHYNVIZKSD-UHFFFAOYSA-N 2 2 333.520 2.916 10 30 EFEELP C=C(C)C[N@@H+](C1CCN(C(C)=O)CC1)C1CC[NH+](CC(=C)C)CC1 ZINC000521395231 478375020 /nfs/dbraw/zinc/37/50/20/478375020.db2.gz DRZYMHYNVIZKSD-UHFFFAOYSA-N 2 2 333.520 2.916 10 30 EFEELP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000600714963 478480385 /nfs/dbraw/zinc/48/03/85/478480385.db2.gz QDARCMGQCCPYJD-GOSISDBHSA-N 2 2 347.890 2.949 10 30 EFEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000600720646 478483064 /nfs/dbraw/zinc/48/30/64/478483064.db2.gz IMUSEGHNOQWVFH-MOPGFXCFSA-N 2 2 327.472 2.685 10 30 EFEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000600720646 478483072 /nfs/dbraw/zinc/48/30/72/478483072.db2.gz IMUSEGHNOQWVFH-MOPGFXCFSA-N 2 2 327.472 2.685 10 30 EFEELP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527805717 478529572 /nfs/dbraw/zinc/52/95/72/478529572.db2.gz WHNKZCSAOOGTFM-ZFCANOHDSA-N 2 2 327.472 2.924 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3COC4(CCC4)C3)CC2)c1 ZINC000595045797 478640573 /nfs/dbraw/zinc/64/05/73/478640573.db2.gz HKQYZPQZJHHSBU-LJQANCHMSA-N 2 2 325.456 2.824 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCn4nccc43)CC2)cc1 ZINC000601173982 478706283 /nfs/dbraw/zinc/70/62/83/478706283.db2.gz OHFMKHQYLFZEJR-IBGZPJMESA-N 2 2 335.455 2.844 10 30 EFEELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595386436 478756948 /nfs/dbraw/zinc/75/69/48/478756948.db2.gz GTLCRCACNOTSRO-UHFFFAOYSA-N 2 2 349.360 2.633 10 30 EFEELP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565230003 478958907 /nfs/dbraw/zinc/95/89/07/478958907.db2.gz PGUYCSYRUKXPKO-LJQANCHMSA-N 2 2 330.472 2.938 10 30 EFEELP C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565230003 478958912 /nfs/dbraw/zinc/95/89/12/478958912.db2.gz PGUYCSYRUKXPKO-LJQANCHMSA-N 2 2 330.472 2.938 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000599009405 479124834 /nfs/dbraw/zinc/12/48/34/479124834.db2.gz KPEMRJIYZZKLOF-WOJBJXKFSA-N 2 2 325.456 2.680 10 30 EFEELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000599441130 479298946 /nfs/dbraw/zinc/29/89/46/479298946.db2.gz ZCTYKOBPWWVBOT-UHFFFAOYSA-N 2 2 340.515 2.859 10 30 EFEELP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000599441130 479298952 /nfs/dbraw/zinc/29/89/52/479298952.db2.gz ZCTYKOBPWWVBOT-UHFFFAOYSA-N 2 2 340.515 2.859 10 30 EFEELP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597011045 479534332 /nfs/dbraw/zinc/53/43/32/479534332.db2.gz SKJCTIYSDGHCJF-UHFFFAOYSA-N 2 2 327.472 2.520 10 30 EFEELP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597011045 479534335 /nfs/dbraw/zinc/53/43/35/479534335.db2.gz SKJCTIYSDGHCJF-UHFFFAOYSA-N 2 2 327.472 2.520 10 30 EFEELP N#CC1(c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597121027 479583392 /nfs/dbraw/zinc/58/33/92/479583392.db2.gz MFGFEXRZOSENTM-LJQANCHMSA-N 2 2 339.483 2.786 10 30 EFEELP N#CC1(c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597121027 479583399 /nfs/dbraw/zinc/58/33/99/479583399.db2.gz MFGFEXRZOSENTM-LJQANCHMSA-N 2 2 339.483 2.786 10 30 EFEELP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000614168866 480214386 /nfs/dbraw/zinc/21/43/86/480214386.db2.gz ZMLBGLYPWICHBY-GOSISDBHSA-N 2 2 327.472 2.642 10 30 EFEELP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000614168866 480214392 /nfs/dbraw/zinc/21/43/92/480214392.db2.gz ZMLBGLYPWICHBY-GOSISDBHSA-N 2 2 327.472 2.642 10 30 EFEELP C=CCCn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000653662126 481392768 /nfs/dbraw/zinc/39/27/68/481392768.db2.gz UQWOMVSVOXTSFE-MRXNPFEDSA-N 2 2 340.475 2.767 10 30 EFEELP C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000653662126 481392757 /nfs/dbraw/zinc/39/27/57/481392757.db2.gz UQWOMVSVOXTSFE-MRXNPFEDSA-N 2 2 340.475 2.767 10 30 EFEELP C=CC[C@]1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662721544 481948299 /nfs/dbraw/zinc/94/82/99/481948299.db2.gz YISPQVGTRXHTND-OXQOHEQNSA-N 2 2 343.471 2.717 10 30 EFEELP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCC[NH2+]1 ZINC000662800707 481975504 /nfs/dbraw/zinc/97/55/04/481975504.db2.gz WTULARSWEFOXDL-YJBOKZPZSA-N 2 2 333.501 2.652 10 30 EFEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000187679132 534084554 /nfs/dbraw/zinc/08/45/54/534084554.db2.gz DVRSOXHQOLXMQN-PXNSSMCTSA-N 2 2 326.488 2.721 10 30 EFEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000187679132 534084562 /nfs/dbraw/zinc/08/45/62/534084562.db2.gz DVRSOXHQOLXMQN-PXNSSMCTSA-N 2 2 326.488 2.721 10 30 EFEELP CC[N@@H+]1CCC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181553759 521648269 /nfs/dbraw/zinc/64/82/69/521648269.db2.gz BBVGZZGEEXRYDT-FQEVSTJZSA-N 2 2 326.488 2.597 10 30 EFEELP CC[N@H+]1CCC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181553759 521648275 /nfs/dbraw/zinc/64/82/75/521648275.db2.gz BBVGZZGEEXRYDT-FQEVSTJZSA-N 2 2 326.488 2.597 10 30 EFEELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000180196503 524904264 /nfs/dbraw/zinc/90/42/64/524904264.db2.gz JJIOSGQPMVQCRI-HNAYVOBHSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000180196503 524904282 /nfs/dbraw/zinc/90/42/82/524904282.db2.gz JJIOSGQPMVQCRI-HNAYVOBHSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196503 524904288 /nfs/dbraw/zinc/90/42/88/524904288.db2.gz JJIOSGQPMVQCRI-HNAYVOBHSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196503 524904299 /nfs/dbraw/zinc/90/42/99/524904299.db2.gz JJIOSGQPMVQCRI-HNAYVOBHSA-N 2 2 337.471 2.873 10 30 EFEELP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181700820 526011395 /nfs/dbraw/zinc/01/13/95/526011395.db2.gz UYLFHZCXMDGMQY-UHFFFAOYSA-N 2 2 336.439 2.716 10 30 EFEELP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658061027 547344409 /nfs/dbraw/zinc/34/44/09/547344409.db2.gz RVPRTRQPUBVDEZ-ICSRJNTNSA-N 2 2 335.536 2.508 10 30 EFEELP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658061027 547344412 /nfs/dbraw/zinc/34/44/12/547344412.db2.gz RVPRTRQPUBVDEZ-ICSRJNTNSA-N 2 2 335.536 2.508 10 30 EFEELP Cc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)nc2ccccc12 ZINC000774827112 581501799 /nfs/dbraw/zinc/50/17/99/581501799.db2.gz NVFVPQTZSQZCOH-UHFFFAOYSA-N 2 2 349.438 2.837 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001691302745 1248630422 /nfs/dbraw/zinc/63/04/22/1248630422.db2.gz ZPBFENYOUGXZBO-ZWKOTPCHSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691620413 1251836652 /nfs/dbraw/zinc/83/66/52/1251836652.db2.gz KTQSHGZGLRTNBQ-QGZVFWFLSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001484337295 1252421938 /nfs/dbraw/zinc/42/19/38/1252421938.db2.gz VNFPGAOJEAHZOJ-WBVHZDCISA-N 2 2 326.444 2.659 10 30 EFEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001484337293 1252422154 /nfs/dbraw/zinc/42/21/54/1252422154.db2.gz VNFPGAOJEAHZOJ-NVXWUHKLSA-N 2 2 326.444 2.659 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001484372521 1252468142 /nfs/dbraw/zinc/46/81/42/1252468142.db2.gz SUJMMCFTSPPFBT-CVEARBPZSA-N 2 2 326.444 2.598 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464964 1252669761 /nfs/dbraw/zinc/66/97/61/1252669761.db2.gz LRCMURGMTNOBDH-RTBURBONSA-N 2 2 344.503 2.774 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464964 1252669771 /nfs/dbraw/zinc/66/97/71/1252669771.db2.gz LRCMURGMTNOBDH-RTBURBONSA-N 2 2 344.503 2.774 10 30 EFEELP C=CC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3C)CC2)CC1 ZINC001649112170 1258508069 /nfs/dbraw/zinc/50/80/69/1258508069.db2.gz NNDKOHYVQSCDAA-UHFFFAOYSA-N 2 2 341.499 2.840 10 30 EFEELP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001670989466 1259348094 /nfs/dbraw/zinc/34/80/94/1259348094.db2.gz WFQSUQGQDALBLQ-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001670989466 1259348097 /nfs/dbraw/zinc/34/80/97/1259348097.db2.gz WFQSUQGQDALBLQ-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001486149120 1262699598 /nfs/dbraw/zinc/69/95/98/1262699598.db2.gz VONUOTITXISGPS-YQVWRLOYSA-N 2 2 330.476 2.914 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001486149120 1262699602 /nfs/dbraw/zinc/69/96/02/1262699602.db2.gz VONUOTITXISGPS-YQVWRLOYSA-N 2 2 330.476 2.914 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001486149122 1262700437 /nfs/dbraw/zinc/70/04/37/1262700437.db2.gz VONUOTITXISGPS-ZHALLVOQSA-N 2 2 330.476 2.914 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001486149122 1262700442 /nfs/dbraw/zinc/70/04/42/1262700442.db2.gz VONUOTITXISGPS-ZHALLVOQSA-N 2 2 330.476 2.914 10 30 EFEELP N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738147914 1268370548 /nfs/dbraw/zinc/37/05/48/1268370548.db2.gz GDDQHSCFPYADRA-SFHVURJKSA-N 2 2 332.411 2.913 10 30 EFEELP N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738147914 1268370559 /nfs/dbraw/zinc/37/05/59/1268370559.db2.gz GDDQHSCFPYADRA-SFHVURJKSA-N 2 2 332.411 2.913 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001691671346 1270446007 /nfs/dbraw/zinc/44/60/07/1270446007.db2.gz FDUFUCUDHVGZPD-MRXNPFEDSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1OC ZINC000873227590 1289660565 /nfs/dbraw/zinc/66/05/65/1289660565.db2.gz LTIAWYMEORNOFI-KGLIPLIRSA-N 2 2 344.377 2.829 10 30 EFEELP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1OC ZINC000873227590 1289660573 /nfs/dbraw/zinc/66/05/73/1289660573.db2.gz LTIAWYMEORNOFI-KGLIPLIRSA-N 2 2 344.377 2.829 10 30 EFEELP C=CC[N@@H+](CCc1ccco1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001192653619 1292956784 /nfs/dbraw/zinc/95/67/84/1292956784.db2.gz PEQAYEIHGYCNPY-NRFANRHFSA-N 2 2 340.467 2.947 10 30 EFEELP C=CC[N@H+](CCc1ccco1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001192653619 1292956796 /nfs/dbraw/zinc/95/67/96/1292956796.db2.gz PEQAYEIHGYCNPY-NRFANRHFSA-N 2 2 340.467 2.947 10 30 EFEELP C=CC[NH+](CCc1ccco1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001192653619 1292956807 /nfs/dbraw/zinc/95/68/07/1292956807.db2.gz PEQAYEIHGYCNPY-NRFANRHFSA-N 2 2 340.467 2.947 10 30 EFEELP C=CC[NH+](CCc1ccco1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001192653619 1292956818 /nfs/dbraw/zinc/95/68/18/1292956818.db2.gz PEQAYEIHGYCNPY-NRFANRHFSA-N 2 2 340.467 2.947 10 30 EFEELP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001276227888 1296666917 /nfs/dbraw/zinc/66/69/17/1296666917.db2.gz XIQVLRREIJPCDN-HZPDHXFCSA-N 2 2 330.476 2.508 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001488918836 1297867147 /nfs/dbraw/zinc/86/71/47/1297867147.db2.gz XSKKPONIPKUOLL-DLBZAZTESA-N 2 2 332.492 2.767 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCCCC)C1 ZINC001490440679 1298867284 /nfs/dbraw/zinc/86/72/84/1298867284.db2.gz QVFQSTXEDYBLLF-MOPGFXCFSA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCCCC)C1 ZINC001490440679 1298867297 /nfs/dbraw/zinc/86/72/97/1298867297.db2.gz QVFQSTXEDYBLLF-MOPGFXCFSA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCCC)C1 ZINC001490440679 1298867310 /nfs/dbraw/zinc/86/73/10/1298867310.db2.gz QVFQSTXEDYBLLF-MOPGFXCFSA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCCC)C1 ZINC001490440679 1298867324 /nfs/dbraw/zinc/86/73/24/1298867324.db2.gz QVFQSTXEDYBLLF-MOPGFXCFSA-N 2 2 333.520 2.635 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001490543852 1298953459 /nfs/dbraw/zinc/95/34/59/1298953459.db2.gz JXANFJPNNBWRRS-QGZVFWFLSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001490543852 1298953467 /nfs/dbraw/zinc/95/34/67/1298953467.db2.gz JXANFJPNNBWRRS-QGZVFWFLSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001490597659 1299018810 /nfs/dbraw/zinc/01/88/10/1299018810.db2.gz WUAVYIFTBALBHI-QGZVFWFLSA-N 2 2 344.503 2.864 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490767746 1299216432 /nfs/dbraw/zinc/21/64/32/1299216432.db2.gz WKMLKJSNBPHZAI-BRWVUGGUSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490767746 1299216440 /nfs/dbraw/zinc/21/64/40/1299216440.db2.gz WKMLKJSNBPHZAI-BRWVUGGUSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490767746 1299216448 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C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001327539466 1330496607 /nfs/dbraw/zinc/49/66/07/1330496607.db2.gz AFVNVJIZGHCLQA-FQEVSTJZSA-N 2 2 344.503 2.968 10 30 EFEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001327925403 1330530610 /nfs/dbraw/zinc/53/06/10/1330530610.db2.gz SUQPOVNNUAJDLM-FUHWJXTLSA-N 2 2 340.471 2.588 10 30 EFEELP C=CCCC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001328510396 1330598653 /nfs/dbraw/zinc/59/86/53/1330598653.db2.gz WTRRXEDPFMXYIH-UHFFFAOYSA-N 2 2 344.503 2.944 10 30 EFEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001328578336 1330604510 /nfs/dbraw/zinc/60/45/10/1330604510.db2.gz MBVXMOKTXCIYEX-UHFFFAOYSA-N 2 2 338.455 2.760 10 30 EFEELP CC#CC[N@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001328578336 1330604513 /nfs/dbraw/zinc/60/45/13/1330604513.db2.gz MBVXMOKTXCIYEX-UHFFFAOYSA-N 2 2 338.455 2.760 10 30 EFEELP C#CC[N@@H+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001328577704 1330604742 /nfs/dbraw/zinc/60/47/42/1330604742.db2.gz KHIGCHHRJXLCET-UHFFFAOYSA-N 2 2 327.472 2.814 10 30 EFEELP C#CC[N@H+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001328577704 1330604745 /nfs/dbraw/zinc/60/47/45/1330604745.db2.gz KHIGCHHRJXLCET-UHFFFAOYSA-N 2 2 327.472 2.814 10 30 EFEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001329595152 1330722040 /nfs/dbraw/zinc/72/20/40/1330722040.db2.gz GPWFAIKNJFUVHG-LJQANCHMSA-N 2 2 340.471 2.883 10 30 EFEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001329595152 1330722041 /nfs/dbraw/zinc/72/20/41/1330722041.db2.gz GPWFAIKNJFUVHG-LJQANCHMSA-N 2 2 340.471 2.883 10 30 EFEELP C#CC[NH2+]CC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001329828998 1330741106 /nfs/dbraw/zinc/74/11/06/1330741106.db2.gz IWAJTEXPZJHXAO-KRWDZBQOSA-N 2 2 330.476 2.512 10 30 EFEELP C#CC[NH2+]CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001329839480 1330741844 /nfs/dbraw/zinc/74/18/44/1330741844.db2.gz XYPKCFURBPKIPC-UHFFFAOYSA-N 2 2 336.439 2.528 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332215881 1330942483 /nfs/dbraw/zinc/94/24/83/1330942483.db2.gz BUIFQNXDQAKOOA-DLBZAZTESA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332215881 1330942485 /nfs/dbraw/zinc/94/24/85/1330942485.db2.gz BUIFQNXDQAKOOA-DLBZAZTESA-N 2 2 341.927 2.974 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332710090 1331006502 /nfs/dbraw/zinc/00/65/02/1331006502.db2.gz BRGDHUNFFLMWLH-MSOLQXFVSA-N 2 2 346.519 2.969 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001332710090 1331006508 /nfs/dbraw/zinc/00/65/08/1331006508.db2.gz BRGDHUNFFLMWLH-MSOLQXFVSA-N 2 2 346.519 2.969 10 30 EFEELP C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC001333066668 1331073816 /nfs/dbraw/zinc/07/38/16/1331073816.db2.gz LCICLVFORMFLCT-ZULIPRJHSA-N 2 2 334.504 2.521 10 30 EFEELP C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC001333066668 1331073819 /nfs/dbraw/zinc/07/38/19/1331073819.db2.gz LCICLVFORMFLCT-ZULIPRJHSA-N 2 2 334.504 2.521 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001333180094 1331089058 /nfs/dbraw/zinc/08/90/58/1331089058.db2.gz NPNAKRMTSJQPRF-OAHLLOKOSA-N 2 2 330.476 2.668 10 30 EFEELP C[NH+]1CCN(c2ccc(C[N@@H+]3Cc4ccc(C#N)cc4C3)cc2)CC1 ZINC000848925346 1334991084 /nfs/dbraw/zinc/99/10/84/1334991084.db2.gz CAQMBFFOZYKITK-UHFFFAOYSA-N 2 2 332.451 2.826 10 30 EFEELP C[NH+]1CCN(c2ccc(C[N@H+]3Cc4ccc(C#N)cc4C3)cc2)CC1 ZINC000848925346 1334991086 /nfs/dbraw/zinc/99/10/86/1334991086.db2.gz CAQMBFFOZYKITK-UHFFFAOYSA-N 2 2 332.451 2.826 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001365936512 1337268701 /nfs/dbraw/zinc/26/87/01/1337268701.db2.gz WPMFZWVHVHLADK-OAHLLOKOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001365936512 1337268704 /nfs/dbraw/zinc/26/87/04/1337268704.db2.gz WPMFZWVHVHLADK-OAHLLOKOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001365936512 1337268707 /nfs/dbraw/zinc/26/87/07/1337268707.db2.gz WPMFZWVHVHLADK-OAHLLOKOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001365936512 1337268709 /nfs/dbraw/zinc/26/87/09/1337268709.db2.gz WPMFZWVHVHLADK-OAHLLOKOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001366787719 1338006181 /nfs/dbraw/zinc/00/61/81/1338006181.db2.gz ZWHNSLBEOZAUNV-ZDUSSCGKSA-N 2 2 338.883 2.657 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001373665092 1341089931 /nfs/dbraw/zinc/08/99/31/1341089931.db2.gz CDUNFMZYEWOIBT-MRXNPFEDSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001373665092 1341089932 /nfs/dbraw/zinc/08/99/32/1341089932.db2.gz CDUNFMZYEWOIBT-MRXNPFEDSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001373665092 1341089933 /nfs/dbraw/zinc/08/99/33/1341089933.db2.gz CDUNFMZYEWOIBT-MRXNPFEDSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001373665092 1341089934 /nfs/dbraw/zinc/08/99/34/1341089934.db2.gz CDUNFMZYEWOIBT-MRXNPFEDSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001375160676 1342477473 /nfs/dbraw/zinc/47/74/73/1342477473.db2.gz RYWWLBHVGFFOED-HZPDHXFCSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001375160676 1342477475 /nfs/dbraw/zinc/47/74/75/1342477475.db2.gz RYWWLBHVGFFOED-HZPDHXFCSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CCCCCC1 ZINC001375596523 1342914396 /nfs/dbraw/zinc/91/43/96/1342914396.db2.gz OIZZBKGTMBUORG-UHFFFAOYSA-N 2 2 338.883 2.777 10 30 EFEELP C=C(Cl)C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CCCCCC1 ZINC001375596523 1342914402 /nfs/dbraw/zinc/91/44/02/1342914402.db2.gz OIZZBKGTMBUORG-UHFFFAOYSA-N 2 2 338.883 2.777 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001377621043 1344230127 /nfs/dbraw/zinc/23/01/27/1344230127.db2.gz KPOBQRFQBMCQOG-IRXDYDNUSA-N 2 2 335.879 2.670 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001377621043 1344230130 /nfs/dbraw/zinc/23/01/30/1344230130.db2.gz KPOBQRFQBMCQOG-IRXDYDNUSA-N 2 2 335.879 2.670 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001380073362 1347501436 /nfs/dbraw/zinc/50/14/36/1347501436.db2.gz PPAMCYMZROYFQA-CQSZACIVSA-N 2 2 340.899 2.800 10 30 EFEELP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001381019102 1348021264 /nfs/dbraw/zinc/02/12/64/1348021264.db2.gz LFHBJPSQCDFKAZ-ZIAGYGMSSA-N 2 2 336.867 2.627 10 30 EFEELP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001381019102 1348021265 /nfs/dbraw/zinc/02/12/65/1348021265.db2.gz LFHBJPSQCDFKAZ-ZIAGYGMSSA-N 2 2 336.867 2.627 10 30 EFEELP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001397706938 1360065595 /nfs/dbraw/zinc/06/55/95/1360065595.db2.gz CTFQODXDEMFMDC-LSDHHAIUSA-N 2 2 338.883 2.554 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001398468352 1360585005 /nfs/dbraw/zinc/58/50/05/1360585005.db2.gz FPJCDXHALSQJKV-CVEARBPZSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001398468352 1360585009 /nfs/dbraw/zinc/58/50/09/1360585009.db2.gz FPJCDXHALSQJKV-CVEARBPZSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001400709071 1362112027 /nfs/dbraw/zinc/11/20/27/1362112027.db2.gz VLXSYURLEZBCGU-LSDHHAIUSA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001400709071 1362112028 /nfs/dbraw/zinc/11/20/28/1362112028.db2.gz VLXSYURLEZBCGU-LSDHHAIUSA-N 2 2 338.883 2.682 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001400765307 1362150615 /nfs/dbraw/zinc/15/06/15/1362150615.db2.gz KCPQGJCNWGSUNI-HZPDHXFCSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001400765307 1362150617 /nfs/dbraw/zinc/15/06/17/1362150617.db2.gz KCPQGJCNWGSUNI-HZPDHXFCSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001403194064 1364421374 /nfs/dbraw/zinc/42/13/74/1364421374.db2.gz PEFPZIAKYXPJMV-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001403194064 1364421377 /nfs/dbraw/zinc/42/13/77/1364421377.db2.gz PEFPZIAKYXPJMV-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001403194064 1364421379 /nfs/dbraw/zinc/42/13/79/1364421379.db2.gz PEFPZIAKYXPJMV-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001403194064 1364421382 /nfs/dbraw/zinc/42/13/82/1364421382.db2.gz PEFPZIAKYXPJMV-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001403295496 1364510934 /nfs/dbraw/zinc/51/09/34/1364510934.db2.gz OOBFCZFMVVMYJH-HOTGVXAUSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001403295496 1364510940 /nfs/dbraw/zinc/51/09/40/1364510940.db2.gz OOBFCZFMVVMYJH-HOTGVXAUSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001417856104 1373344225 /nfs/dbraw/zinc/34/42/25/1373344225.db2.gz KYWWFJIOROMNAG-INIZCTEOSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001417856104 1373344230 /nfs/dbraw/zinc/34/42/30/1373344230.db2.gz KYWWFJIOROMNAG-INIZCTEOSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001417856104 1373344238 /nfs/dbraw/zinc/34/42/38/1373344238.db2.gz KYWWFJIOROMNAG-INIZCTEOSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001417856104 1373344245 /nfs/dbraw/zinc/34/42/45/1373344245.db2.gz KYWWFJIOROMNAG-INIZCTEOSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001418789876 1374504299 /nfs/dbraw/zinc/50/42/99/1374504299.db2.gz FPVSIWZOUHTIHV-ZNMIVQPWSA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001418789876 1374504305 /nfs/dbraw/zinc/50/43/05/1374504305.db2.gz FPVSIWZOUHTIHV-ZNMIVQPWSA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001422268636 1379885821 /nfs/dbraw/zinc/88/58/21/1379885821.db2.gz IRLSAVLKZYOFRO-HUUCEWRRSA-N 2 2 338.883 2.554 10 30 EFEELP C=C(Cl)C[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001422684431 1380586501 /nfs/dbraw/zinc/58/65/01/1380586501.db2.gz ONOHUYPZHREGOK-HNNXBMFYSA-N 2 2 338.883 2.995 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001423605225 1382152954 /nfs/dbraw/zinc/15/29/54/1382152954.db2.gz KJLDJHCKXDXGFL-KBPBESRZSA-N 2 2 326.872 2.707 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001448033130 1391904926 /nfs/dbraw/zinc/90/49/26/1391904926.db2.gz AVUBHDSXPHWKKY-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001448033130 1391904931 /nfs/dbraw/zinc/90/49/31/1391904931.db2.gz AVUBHDSXPHWKKY-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001448033130 1391904936 /nfs/dbraw/zinc/90/49/36/1391904936.db2.gz AVUBHDSXPHWKKY-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001448033130 1391904937 /nfs/dbraw/zinc/90/49/37/1391904937.db2.gz AVUBHDSXPHWKKY-GOEBONIOSA-N 2 2 327.900 2.582 10 30 EFEELP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001479519618 1397747204 /nfs/dbraw/zinc/74/72/04/1397747204.db2.gz NIUJDFZUSAYQLF-AEFFLSMTSA-N 2 2 345.487 2.816 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001479571076 1397756714 /nfs/dbraw/zinc/75/67/14/1397756714.db2.gz RABCRQWVPCYEEO-KURKYZTESA-N 2 2 332.492 2.845 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001479734920 1397788560 /nfs/dbraw/zinc/78/85/60/1397788560.db2.gz LRUKTOFYFABBRQ-HOTGVXAUSA-N 2 2 347.906 2.732 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001479734920 1397788563 /nfs/dbraw/zinc/78/85/63/1397788563.db2.gz LRUKTOFYFABBRQ-HOTGVXAUSA-N 2 2 347.906 2.732 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001479990052 1398075092 /nfs/dbraw/zinc/07/50/92/1398075092.db2.gz XVAGXHQPEFPHGT-RDJZCZTQSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001479990052 1398075096 /nfs/dbraw/zinc/07/50/96/1398075096.db2.gz XVAGXHQPEFPHGT-RDJZCZTQSA-N 2 2 330.476 2.525 10 30 EFEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001493831954 1398910735 /nfs/dbraw/zinc/91/07/35/1398910735.db2.gz VSQFLASYSGZSMQ-CQSZACIVSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001493837814 1398913980 /nfs/dbraw/zinc/91/39/80/1398913980.db2.gz YTARCSJLRWPMBH-KBAYOESNSA-N 2 2 344.503 2.707 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001493839531 1398915388 /nfs/dbraw/zinc/91/53/88/1398915388.db2.gz IQKFHBOKHAGVIY-JSGCOSHPSA-N 2 2 338.883 2.558 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001493839531 1398915390 /nfs/dbraw/zinc/91/53/90/1398915390.db2.gz IQKFHBOKHAGVIY-JSGCOSHPSA-N 2 2 338.883 2.558 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001493839528 1398915619 /nfs/dbraw/zinc/91/56/19/1398915619.db2.gz IQKFHBOKHAGVIY-GXTWGEPZSA-N 2 2 338.883 2.558 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001493839528 1398915620 /nfs/dbraw/zinc/91/56/20/1398915620.db2.gz IQKFHBOKHAGVIY-GXTWGEPZSA-N 2 2 338.883 2.558 10 30 EFEELP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001494143498 1399163766 /nfs/dbraw/zinc/16/37/66/1399163766.db2.gz BBDRSLLEEICGDA-QZTJIDSGSA-N 2 2 332.492 2.827 10 30 EFEELP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001494143498 1399163771 /nfs/dbraw/zinc/16/37/71/1399163771.db2.gz BBDRSLLEEICGDA-QZTJIDSGSA-N 2 2 332.492 2.827 10 30 EFEELP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001494143497 1399164046 /nfs/dbraw/zinc/16/40/46/1399164046.db2.gz BBDRSLLEEICGDA-MSOLQXFVSA-N 2 2 332.492 2.827 10 30 EFEELP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001494143497 1399164051 /nfs/dbraw/zinc/16/40/51/1399164051.db2.gz BBDRSLLEEICGDA-MSOLQXFVSA-N 2 2 332.492 2.827 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001507397526 1407009251 /nfs/dbraw/zinc/00/92/51/1407009251.db2.gz DCBRPIILUOXTDF-NVXWUHKLSA-N 2 2 326.444 2.707 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001507404671 1407016350 /nfs/dbraw/zinc/01/63/50/1407016350.db2.gz WHGXKDDZFQRGNY-HUUCEWRRSA-N 2 2 338.883 2.554 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494833393 1399492152 /nfs/dbraw/zinc/49/21/52/1399492152.db2.gz FJSLIYSUVLCZPO-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494833393 1399492161 /nfs/dbraw/zinc/49/21/61/1399492161.db2.gz FJSLIYSUVLCZPO-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP C=CC[NH2+]C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@@H]1C ZINC001495319793 1399836464 /nfs/dbraw/zinc/83/64/64/1399836464.db2.gz RTKUXTRHHTYXKP-JXFKEZNVSA-N 2 2 344.503 2.603 10 30 EFEELP C=C(C)CC[NH2+]C[C@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001495324383 1399848898 /nfs/dbraw/zinc/84/88/98/1399848898.db2.gz JJBGAIRCUDWQBW-YLJYHZDGSA-N 2 2 346.519 2.974 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001496093602 1400466268 /nfs/dbraw/zinc/46/62/68/1400466268.db2.gz VDXUFWBQEVQMGK-HUUCEWRRSA-N 2 2 326.872 2.659 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001496093605 1400466538 /nfs/dbraw/zinc/46/65/38/1400466538.db2.gz VDXUFWBQEVQMGK-LSDHHAIUSA-N 2 2 326.872 2.659 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001496324122 1400640417 /nfs/dbraw/zinc/64/04/17/1400640417.db2.gz NKXYWEQNWLSSCP-SJLPKXTDSA-N 2 2 330.476 2.512 10 30 EFEELP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001496406395 1400710629 /nfs/dbraw/zinc/71/06/29/1400710629.db2.gz IOOHQSOUGKJFPE-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001497289018 1401273566 /nfs/dbraw/zinc/27/35/66/1401273566.db2.gz GEMJTUQENQRYCY-INIZCTEOSA-N 2 2 328.460 2.636 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001499480692 1402635232 /nfs/dbraw/zinc/63/52/32/1402635232.db2.gz INGBBUBRRWUXFE-HKUYNNGSSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001499480692 1402635235 /nfs/dbraw/zinc/63/52/35/1402635235.db2.gz INGBBUBRRWUXFE-HKUYNNGSSA-N 2 2 344.503 2.632 10 30 EFEELP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001508068953 1407278718 /nfs/dbraw/zinc/27/87/18/1407278718.db2.gz RVIUBEORJGKBSU-OAHLLOKOSA-N 2 2 338.883 2.633 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001500002274 1402892656 /nfs/dbraw/zinc/89/26/56/1402892656.db2.gz FYXOQOZMUOAVRO-JKSUJKDBSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001500002274 1402892663 /nfs/dbraw/zinc/89/26/63/1402892663.db2.gz FYXOQOZMUOAVRO-JKSUJKDBSA-N 2 2 332.492 2.914 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC001500059829 1402918038 /nfs/dbraw/zinc/91/80/38/1402918038.db2.gz IREUMGFMTRKKHD-HXUWFJFHSA-N 2 2 346.434 2.507 10 30 EFEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001500060966 1402918539 /nfs/dbraw/zinc/91/85/39/1402918539.db2.gz XJDFGPKONRASGS-UHFFFAOYSA-N 2 2 344.503 2.636 10 30 EFEELP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001508121630 1407305306 /nfs/dbraw/zinc/30/53/06/1407305306.db2.gz WUZFAKYZQADZFA-MUYFXNHWSA-N 2 2 344.503 2.771 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001500433908 1403120023 /nfs/dbraw/zinc/12/00/23/1403120023.db2.gz OXMKNHITPFVTCY-KRWDZBQOSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001500505718 1403179386 /nfs/dbraw/zinc/17/93/86/1403179386.db2.gz VTTOXCPOKBZLSG-LJQANCHMSA-N 2 2 332.492 2.721 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001500505718 1403179392 /nfs/dbraw/zinc/17/93/92/1403179392.db2.gz VTTOXCPOKBZLSG-LJQANCHMSA-N 2 2 332.492 2.721 10 30 EFEELP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001501172311 1403474767 /nfs/dbraw/zinc/47/47/67/1403474767.db2.gz UCYHIHZAFWSRHJ-NXOAAHMSSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001501172311 1403474769 /nfs/dbraw/zinc/47/47/69/1403474769.db2.gz UCYHIHZAFWSRHJ-NXOAAHMSSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001501408251 1403593892 /nfs/dbraw/zinc/59/38/92/1403593892.db2.gz RXSSQYKNGCJOEM-ROUUACIJSA-N 2 2 330.476 2.695 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001501408251 1403593895 /nfs/dbraw/zinc/59/38/95/1403593895.db2.gz RXSSQYKNGCJOEM-ROUUACIJSA-N 2 2 330.476 2.695 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001502731583 1404315304 /nfs/dbraw/zinc/31/53/04/1404315304.db2.gz QQBWIFZSXHXIQB-APWZRJJASA-N 2 2 338.455 2.889 10 30 EFEELP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001502731585 1404315765 /nfs/dbraw/zinc/31/57/65/1404315765.db2.gz QQBWIFZSXHXIQB-QFBILLFUSA-N 2 2 338.455 2.889 10 30 EFEELP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001505414314 1404573033 /nfs/dbraw/zinc/57/30/33/1404573033.db2.gz BCDLKBNWNIYOQS-YLJYHZDGSA-N 2 2 346.434 2.896 10 30 EFEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001506633003 1406070664 /nfs/dbraw/zinc/07/06/64/1406070664.db2.gz OWUZKMNWNTWAKL-IRXDYDNUSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001565935659 1415175406 /nfs/dbraw/zinc/17/54/06/1415175406.db2.gz GGDKUZFZPGAOCN-FUHWJXTLSA-N 2 2 345.487 2.816 10 30 EFEELP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001565935744 1415176807 /nfs/dbraw/zinc/17/68/07/1415176807.db2.gz HBZILZAYHNVPQM-KSSFIOAISA-N 2 2 326.444 2.969 10 30 EFEELP C=CCC[C@@H](O)C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001560174939 1415266161 /nfs/dbraw/zinc/26/61/61/1415266161.db2.gz BGKFVHCQXWOHNY-HXUWFJFHSA-N 2 2 332.488 2.538 10 30 EFEELP C=CCC[C@@H](O)C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001560174939 1415266163 /nfs/dbraw/zinc/26/61/63/1415266163.db2.gz BGKFVHCQXWOHNY-HXUWFJFHSA-N 2 2 332.488 2.538 10 30 EFEELP C=CCC[C@@H](O)C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001560174939 1415266165 /nfs/dbraw/zinc/26/61/65/1415266165.db2.gz 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YMLAHVJLOLMOTP-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698765660 1417329449 /nfs/dbraw/zinc/32/94/49/1417329449.db2.gz RUCORMKQSQVLEU-INIZCTEOSA-N 2 2 326.444 2.794 10 30 EFEELP C=CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CCCCCC1 ZINC001699683659 1417450673 /nfs/dbraw/zinc/45/06/73/1417450673.db2.gz AELIOJOHAJCITH-UHFFFAOYSA-N 2 2 332.492 2.680 10 30 EFEELP C=CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CCCCCC1 ZINC001699683659 1417450675 /nfs/dbraw/zinc/45/06/75/1417450675.db2.gz AELIOJOHAJCITH-UHFFFAOYSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001699991551 1417539190 /nfs/dbraw/zinc/53/91/90/1417539190.db2.gz PIQIHADNVFTITA-TVFCKZIOSA-N 2 2 330.476 2.579 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001699991551 1417539194 /nfs/dbraw/zinc/53/91/94/1417539194.db2.gz PIQIHADNVFTITA-TVFCKZIOSA-N 2 2 330.476 2.579 10 30 EFEELP 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ZINC001715482864 1418676922 /nfs/dbraw/zinc/67/69/22/1418676922.db2.gz XZPPNURFFHRLMB-UHFFFAOYSA-N 2 2 344.503 2.510 10 30 EFEELP N#Cc1ccccc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716310848 1418766968 /nfs/dbraw/zinc/76/69/68/1418766968.db2.gz TXAUMQSRYGBJDZ-ARJAWSKDSA-N 2 2 345.406 2.510 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001716819651 1419030292 /nfs/dbraw/zinc/03/02/92/1419030292.db2.gz DLTHJRURVUETGI-MRXNPFEDSA-N 2 2 326.444 2.789 10 30 EFEELP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717113368 1419218159 /nfs/dbraw/zinc/21/81/59/1419218159.db2.gz KQZVTYFKIWHCSH-KRWDZBQOSA-N 2 2 338.455 2.606 10 30 EFEELP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717113368 1419218162 /nfs/dbraw/zinc/21/81/62/1419218162.db2.gz KQZVTYFKIWHCSH-KRWDZBQOSA-N 2 2 338.455 2.606 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001717115064 1419219434 /nfs/dbraw/zinc/21/94/34/1419219434.db2.gz IMIUKYMPMIILRR-CVEARBPZSA-N 2 2 326.444 2.987 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001717118268 1419221773 /nfs/dbraw/zinc/22/17/73/1419221773.db2.gz RHTKMXLSPHWZPL-AWEZNQCLSA-N 2 2 326.444 2.804 10 30 EFEELP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717217540 1419270754 /nfs/dbraw/zinc/27/07/54/1419270754.db2.gz SGZPARBUQKIQQC-MOPGFXCFSA-N 2 2 344.503 2.800 10 30 EFEELP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717217540 1419270756 /nfs/dbraw/zinc/27/07/56/1419270756.db2.gz SGZPARBUQKIQQC-MOPGFXCFSA-N 2 2 344.503 2.800 10 30 EFEELP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717217542 1419270879 /nfs/dbraw/zinc/27/08/79/1419270879.db2.gz SGZPARBUQKIQQC-RBUKOAKNSA-N 2 2 344.503 2.800 10 30 EFEELP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717217542 1419270883 /nfs/dbraw/zinc/27/08/83/1419270883.db2.gz SGZPARBUQKIQQC-RBUKOAKNSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001717298064 1419313192 /nfs/dbraw/zinc/31/31/92/1419313192.db2.gz UDQSEYGUKDXOJM-UHFFFAOYSA-N 2 2 332.492 2.864 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001717514593 1419422503 /nfs/dbraw/zinc/42/25/03/1419422503.db2.gz UPDYNTQVOZBVGM-MSOLQXFVSA-N 2 2 346.519 2.874 10 30 EFEELP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001717514594 1419422548 /nfs/dbraw/zinc/42/25/48/1419422548.db2.gz UPDYNTQVOZBVGM-QZTJIDSGSA-N 2 2 346.519 2.874 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001717524583 1419427196 /nfs/dbraw/zinc/42/71/96/1419427196.db2.gz IXUHVEXADCKQGP-KRWDZBQOSA-N 2 2 344.503 2.820 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001717584256 1419456169 /nfs/dbraw/zinc/45/61/69/1419456169.db2.gz UFMUXULOXBUAPV-CVEARBPZSA-N 2 2 332.492 2.534 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001717584256 1419456172 /nfs/dbraw/zinc/45/61/72/1419456172.db2.gz UFMUXULOXBUAPV-CVEARBPZSA-N 2 2 332.492 2.534 10 30 EFEELP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717702057 1419515430 /nfs/dbraw/zinc/51/54/30/1419515430.db2.gz QSTWZHMNXJCMMQ-SFHVURJKSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCC[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717702057 1419515431 /nfs/dbraw/zinc/51/54/31/1419515431.db2.gz QSTWZHMNXJCMMQ-SFHVURJKSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC001717835624 1419565154 /nfs/dbraw/zinc/56/51/54/1419565154.db2.gz BYNSPRRATPBREK-IMFGXOCKSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC001717835624 1419565156 /nfs/dbraw/zinc/56/51/56/1419565156.db2.gz BYNSPRRATPBREK-IMFGXOCKSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC1(C)C ZINC001717897653 1419608038 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WFCVGTBFNCUASM-UHFFFAOYSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001723726585 1424570146 /nfs/dbraw/zinc/57/01/46/1424570146.db2.gz IOIJFWVLMMXBDA-YLJYHZDGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001723726585 1424570149 /nfs/dbraw/zinc/57/01/49/1424570149.db2.gz IOIJFWVLMMXBDA-YLJYHZDGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001724003549 1424620805 /nfs/dbraw/zinc/62/08/05/1424620805.db2.gz AXEXYZFQZREOAE-DLBZAZTESA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724172291 1424687847 /nfs/dbraw/zinc/68/78/47/1424687847.db2.gz BHSQEBWMDXUYHW-MBOZVWFJSA-N 2 2 344.503 2.851 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724172291 1424687853 /nfs/dbraw/zinc/68/78/53/1424687853.db2.gz BHSQEBWMDXUYHW-MBOZVWFJSA-N 2 2 344.503 2.851 10 30 EFEELP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001724294524 1424724070 /nfs/dbraw/zinc/72/40/70/1424724070.db2.gz PAGNFBCUQWEPQK-GOSISDBHSA-N 2 2 344.503 2.712 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001724589160 1424808457 /nfs/dbraw/zinc/80/84/57/1424808457.db2.gz QLMFXSZMQPGQFK-GOEBONIOSA-N 2 2 326.444 2.827 10 30 EFEELP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001724603339 1424820188 /nfs/dbraw/zinc/82/01/88/1424820188.db2.gz OCCFUWPLBWMANQ-FJIDUMEYSA-N 2 2 330.476 2.770 10 30 EFEELP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001724603339 1424820194 /nfs/dbraw/zinc/82/01/94/1424820194.db2.gz OCCFUWPLBWMANQ-FJIDUMEYSA-N 2 2 330.476 2.770 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001724610029 1424829445 /nfs/dbraw/zinc/82/94/45/1424829445.db2.gz GXLSKYOBBARLRU-BZSNNMDCSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001724655917 1424892640 /nfs/dbraw/zinc/89/26/40/1424892640.db2.gz VQUXVHWLSVUDID-ZWKOTPCHSA-N 2 2 344.503 2.958 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001724655917 1424892648 /nfs/dbraw/zinc/89/26/48/1424892648.db2.gz VQUXVHWLSVUDID-ZWKOTPCHSA-N 2 2 344.503 2.958 10 30 EFEELP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724709250 1424927832 /nfs/dbraw/zinc/92/78/32/1424927832.db2.gz TXLFBTCIHLQHNX-MRXNPFEDSA-N 2 2 326.444 2.661 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895337 1425113142 /nfs/dbraw/zinc/11/31/42/1425113142.db2.gz BELIPWAGMJIEBC-FXAWDEMLSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001724895337 1425113145 /nfs/dbraw/zinc/11/31/45/1425113145.db2.gz BELIPWAGMJIEBC-FXAWDEMLSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898426 1425116663 /nfs/dbraw/zinc/11/66/63/1425116663.db2.gz LSMWYUWHQIKNAA-UZLBHIALSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898426 1425116669 /nfs/dbraw/zinc/11/66/69/1425116669.db2.gz LSMWYUWHQIKNAA-UZLBHIALSA-N 2 2 344.503 2.930 10 30 EFEELP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001724923172 1425136544 /nfs/dbraw/zinc/13/65/44/1425136544.db2.gz KUMWIKJQRMLBNE-OAQYLSRUSA-N 2 2 347.462 2.555 10 30 EFEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001724923172 1425136558 /nfs/dbraw/zinc/13/65/58/1425136558.db2.gz KUMWIKJQRMLBNE-OAQYLSRUSA-N 2 2 347.462 2.555 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001724966007 1425174171 /nfs/dbraw/zinc/17/41/71/1425174171.db2.gz LGDGRXVZGQMHKA-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001724966007 1425174175 /nfs/dbraw/zinc/17/41/75/1425174175.db2.gz LGDGRXVZGQMHKA-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[NH2+]CC1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001725067063 1425279411 /nfs/dbraw/zinc/27/94/11/1425279411.db2.gz JZIDZQZXRFKJQZ-UHFFFAOYSA-N 2 2 338.455 2.937 10 30 EFEELP C=CCC[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001725225109 1425392089 /nfs/dbraw/zinc/39/20/89/1425392089.db2.gz XESIZJBWUCRPFR-UHFFFAOYSA-N 2 2 331.460 2.618 10 30 EFEELP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001725242396 1425407369 /nfs/dbraw/zinc/40/73/69/1425407369.db2.gz WEUUHPKGQTXHPR-GOSISDBHSA-N 2 2 332.492 2.990 10 30 EFEELP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001725242396 1425407373 /nfs/dbraw/zinc/40/73/73/1425407373.db2.gz WEUUHPKGQTXHPR-GOSISDBHSA-N 2 2 332.492 2.990 10 30 EFEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001725254882 1425418934 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FFRYAGYJQOBGHS-VXOKQSJXSA-N 2 2 345.531 2.657 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)CC1(C)C ZINC001725286138 1425439713 /nfs/dbraw/zinc/43/97/13/1425439713.db2.gz FFRYAGYJQOBGHS-VXOKQSJXSA-N 2 2 345.531 2.657 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CCC)CC1(C)C ZINC001725286138 1425439718 /nfs/dbraw/zinc/43/97/18/1425439718.db2.gz FFRYAGYJQOBGHS-VXOKQSJXSA-N 2 2 345.531 2.657 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CCC)CC1(C)C ZINC001725286138 1425439723 /nfs/dbraw/zinc/43/97/23/1425439723.db2.gz FFRYAGYJQOBGHS-VXOKQSJXSA-N 2 2 345.531 2.657 10 30 EFEELP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345368 1425492614 /nfs/dbraw/zinc/49/26/14/1425492614.db2.gz LRYGKFVDOYVZTG-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345368 1425492618 /nfs/dbraw/zinc/49/26/18/1425492618.db2.gz LRYGKFVDOYVZTG-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001725345395 1425493315 /nfs/dbraw/zinc/49/33/15/1425493315.db2.gz MHNSQBLDUGIGDG-SJORKVTESA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001725345395 1425493317 /nfs/dbraw/zinc/49/33/17/1425493317.db2.gz MHNSQBLDUGIGDG-SJORKVTESA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345395 1425493319 /nfs/dbraw/zinc/49/33/19/1425493319.db2.gz MHNSQBLDUGIGDG-SJORKVTESA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345395 1425493320 /nfs/dbraw/zinc/49/33/20/1425493320.db2.gz MHNSQBLDUGIGDG-SJORKVTESA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001725423924 1425568317 /nfs/dbraw/zinc/56/83/17/1425568317.db2.gz ZDMKBURWLCGZMX-IAGOWNOFSA-N 2 2 344.503 2.723 10 30 EFEELP 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C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001725763649 1425830127 /nfs/dbraw/zinc/83/01/27/1425830127.db2.gz FTCDOQJGEYVWHX-DLBZAZTESA-N 2 2 346.519 2.924 10 30 EFEELP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001725767916 1425834285 /nfs/dbraw/zinc/83/42/85/1425834285.db2.gz TZBYZUYEFINGIG-KRWDZBQOSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001725767916 1425834288 /nfs/dbraw/zinc/83/42/88/1425834288.db2.gz TZBYZUYEFINGIG-KRWDZBQOSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940837986 728277689 /nfs/dbraw/zinc/27/76/89/728277689.db2.gz CUOQHRPGAHFNNZ-KRWDZBQOSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940837986 728277691 /nfs/dbraw/zinc/27/76/91/728277691.db2.gz CUOQHRPGAHFNNZ-KRWDZBQOSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001569455441 1085242419 /nfs/dbraw/zinc/24/24/19/1085242419.db2.gz LTMPYYFABRPSCH-UHFFFAOYSA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001569455441 1085242427 /nfs/dbraw/zinc/24/24/27/1085242427.db2.gz LTMPYYFABRPSCH-UHFFFAOYSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001569468193 1085265951 /nfs/dbraw/zinc/26/59/51/1085265951.db2.gz ZZDHIMJYLDFVCE-VQIMIIECSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001569468193 1085265955 /nfs/dbraw/zinc/26/59/55/1085265955.db2.gz ZZDHIMJYLDFVCE-VQIMIIECSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001569469409 1085268028 /nfs/dbraw/zinc/26/80/28/1085268028.db2.gz RDTAHXHHKOWORH-GOSISDBHSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001569816144 1085635035 /nfs/dbraw/zinc/63/50/35/1085635035.db2.gz 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EFEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001570399576 1086203409 /nfs/dbraw/zinc/20/34/09/1086203409.db2.gz FMSLFICWVHOCBU-KRWDZBQOSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001570399576 1086203418 /nfs/dbraw/zinc/20/34/18/1086203418.db2.gz FMSLFICWVHOCBU-KRWDZBQOSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001570822499 1086543210 /nfs/dbraw/zinc/54/32/10/1086543210.db2.gz DYLUTQGZJOZFOA-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001570822499 1086543215 /nfs/dbraw/zinc/54/32/15/1086543215.db2.gz DYLUTQGZJOZFOA-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCC=C)CC1(C)C ZINC001570897699 1086597596 /nfs/dbraw/zinc/59/75/96/1086597596.db2.gz UWPYVHOHQGBCGR-RBUKOAKNSA-N 2 2 345.531 2.657 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCC=C)CC1(C)C ZINC001570897699 1086597598 /nfs/dbraw/zinc/59/75/98/1086597598.db2.gz UWPYVHOHQGBCGR-RBUKOAKNSA-N 2 2 345.531 2.657 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC=C)CC1(C)C ZINC001570897699 1086597603 /nfs/dbraw/zinc/59/76/03/1086597603.db2.gz UWPYVHOHQGBCGR-RBUKOAKNSA-N 2 2 345.531 2.657 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC=C)CC1(C)C ZINC001570897699 1086597606 /nfs/dbraw/zinc/59/76/06/1086597606.db2.gz UWPYVHOHQGBCGR-RBUKOAKNSA-N 2 2 345.531 2.657 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001570988003 1086632726 /nfs/dbraw/zinc/63/27/26/1086632726.db2.gz WWCBPKQHODMTMO-AEFFLSMTSA-N 2 2 345.487 2.792 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001571525966 1086936782 /nfs/dbraw/zinc/93/67/82/1086936782.db2.gz ZFKHJKBPHCHWAR-IRXDYDNUSA-N 2 2 332.492 2.976 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001571525966 1086936786 /nfs/dbraw/zinc/93/67/86/1086936786.db2.gz ZFKHJKBPHCHWAR-IRXDYDNUSA-N 2 2 332.492 2.976 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001571568895 1086968214 /nfs/dbraw/zinc/96/82/14/1086968214.db2.gz SHAFCNNVKVYYSY-IAGOWNOFSA-N 2 2 332.492 2.845 10 30 EFEELP C=CCC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001571624594 1086994971 /nfs/dbraw/zinc/99/49/71/1086994971.db2.gz MYOHMZLSFLMDAJ-MRXNPFEDSA-N 2 2 328.460 2.953 10 30 EFEELP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001571669869 1087034900 /nfs/dbraw/zinc/03/49/00/1087034900.db2.gz PXHJERVTDZFHHN-OAHLLOKOSA-N 2 2 330.476 2.525 10 30 EFEELP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001571669869 1087034904 /nfs/dbraw/zinc/03/49/04/1087034904.db2.gz PXHJERVTDZFHHN-OAHLLOKOSA-N 2 2 330.476 2.525 10 30 EFEELP C=C(C)CC[NH+]1CCC(C2(NC(=O)CCc3[nH+]ccn3C)CC2)CC1 ZINC001571669872 1087035111 /nfs/dbraw/zinc/03/51/11/1087035111.db2.gz QAPKJCPJSVSOPW-UHFFFAOYSA-N 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C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001269575205 1098261633 /nfs/dbraw/zinc/26/16/33/1098261633.db2.gz RQGWVMUDGYWJIA-CSNJMZFVSA-N 2 2 344.503 2.819 10 30 EFEELP C=CCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001269714314 1098389831 /nfs/dbraw/zinc/38/98/31/1098389831.db2.gz ULESYXWGHHPEJB-UHFFFAOYSA-N 2 2 344.503 2.968 10 30 EFEELP C#CCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CCCC)CC1 ZINC001270325354 1098961721 /nfs/dbraw/zinc/96/17/21/1098961721.db2.gz BZLSZMCZJNAPDG-UHFFFAOYSA-N 2 2 338.455 2.674 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC001270368633 1099014232 /nfs/dbraw/zinc/01/42/32/1099014232.db2.gz GWMPDLZJVLCXIM-IBGZPJMESA-N 2 2 346.434 2.576 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001270412516 1099071449 /nfs/dbraw/zinc/07/14/49/1099071449.db2.gz GCJHSMTWDFGHOH-QGZVFWFLSA-N 2 2 332.492 2.767 10 30 EFEELP C=C(C[NH+](C)C)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001615600537 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QALOKHIHROWSAY-OAHLLOKOSA-N 2 2 326.444 2.971 10 30 EFEELP C#CCC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC001268038321 1099912605 /nfs/dbraw/zinc/91/26/05/1099912605.db2.gz QOEFWWNSXDZOBO-UHFFFAOYSA-N 2 2 336.439 2.528 10 30 EFEELP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001627127541 1099959642 /nfs/dbraw/zinc/95/96/42/1099959642.db2.gz IZCQWFIWOHDNAV-QGZVFWFLSA-N 2 2 326.444 2.763 10 30 EFEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001482420578 1100111989 /nfs/dbraw/zinc/11/19/89/1100111989.db2.gz DGIVGKACMNPYQT-RHSMWYFYSA-N 2 2 326.444 2.659 10 30 EFEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001270965908 1100318394 /nfs/dbraw/zinc/31/83/94/1100318394.db2.gz RHHCHTPXEQYXFY-HKUYNNGSSA-N 2 2 332.492 2.875 10 30 EFEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001270965908 1100318406 /nfs/dbraw/zinc/31/84/06/1100318406.db2.gz RHHCHTPXEQYXFY-HKUYNNGSSA-N 2 2 332.492 2.875 10 30 EFEELP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001635758062 1100678352 /nfs/dbraw/zinc/67/83/52/1100678352.db2.gz WNURSHHLNGQPKE-GOSISDBHSA-N 2 2 340.471 2.898 10 30 EFEELP C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001635758062 1100678356 /nfs/dbraw/zinc/67/83/56/1100678356.db2.gz WNURSHHLNGQPKE-GOSISDBHSA-N 2 2 340.471 2.898 10 30 EFEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001670581376 1101357066 /nfs/dbraw/zinc/35/70/66/1101357066.db2.gz HFTBZRWSTALXEN-CVEARBPZSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001670581139 1101357728 /nfs/dbraw/zinc/35/77/28/1101357728.db2.gz DQGAWGHCJIIPFQ-SJORKVTESA-N 2 2 332.492 2.536 10 30 EFEELP C=CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001271341853 1101411438 /nfs/dbraw/zinc/41/14/38/1101411438.db2.gz SIQIWEGJHRAUNB-MRXNPFEDSA-N 2 2 326.444 2.789 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001271419663 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2.596 10 30 EFEELP C=CCC[N@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001678334181 1107120577 /nfs/dbraw/zinc/12/05/77/1107120577.db2.gz RPCABIYGGFXXTL-UHFFFAOYSA-N 2 2 336.439 2.596 10 30 EFEELP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924630595 1107987508 /nfs/dbraw/zinc/98/75/08/1107987508.db2.gz HGEJQPSXJFUWFT-RBUKOAKNSA-N 2 2 344.503 2.577 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272226422 1108328771 /nfs/dbraw/zinc/32/87/71/1108328771.db2.gz ROFGEMYVZLQGSI-AEFFLSMTSA-N 2 2 332.492 2.845 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272226422 1108328783 /nfs/dbraw/zinc/32/87/83/1108328783.db2.gz ROFGEMYVZLQGSI-AEFFLSMTSA-N 2 2 332.492 2.845 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001483810767 1112477887 /nfs/dbraw/zinc/47/78/87/1112477887.db2.gz MGDVMDDBKNEFHJ-IXDOHACOSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001483810767 1112477889 /nfs/dbraw/zinc/47/78/89/1112477889.db2.gz MGDVMDDBKNEFHJ-IXDOHACOSA-N 2 2 341.927 2.925 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001484546931 1112999945 /nfs/dbraw/zinc/99/99/45/1112999945.db2.gz LNLRODQUKKTNGM-CVEARBPZSA-N 2 2 332.492 2.870 10 30 EFEELP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001484579002 1113032736 /nfs/dbraw/zinc/03/27/36/1113032736.db2.gz RDGUMMPNDMUDKE-SFHVURJKSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001484827689 1117746081 /nfs/dbraw/zinc/74/60/81/1117746081.db2.gz SURWUUQDEBPPEC-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001484827689 1117746084 /nfs/dbraw/zinc/74/60/84/1117746084.db2.gz SURWUUQDEBPPEC-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001484820294 1117754892 /nfs/dbraw/zinc/75/48/92/1117754892.db2.gz NAEJFRHFXLPBHD-UHFFFAOYSA-N 2 2 332.492 2.990 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001484983816 1117908448 /nfs/dbraw/zinc/90/84/48/1117908448.db2.gz YKKIVRWVWJUYFU-HZPDHXFCSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001484983816 1117908452 /nfs/dbraw/zinc/90/84/52/1117908452.db2.gz YKKIVRWVWJUYFU-HZPDHXFCSA-N 2 2 326.444 2.883 10 30 EFEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001485030464 1117955239 /nfs/dbraw/zinc/95/52/39/1117955239.db2.gz BAIOVRQFIOFOGQ-UHFFFAOYSA-N 2 2 344.503 2.510 10 30 EFEELP C#CCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001485030464 1117955242 /nfs/dbraw/zinc/95/52/42/1117955242.db2.gz BAIOVRQFIOFOGQ-UHFFFAOYSA-N 2 2 344.503 2.510 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001485081280 1118031742 /nfs/dbraw/zinc/03/17/42/1118031742.db2.gz AYEVCGOZZORWMF-RTBURBONSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001485081280 1118031745 /nfs/dbraw/zinc/03/17/45/1118031745.db2.gz AYEVCGOZZORWMF-RTBURBONSA-N 2 2 344.503 2.800 10 30 EFEELP C=C(Cl)C[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001485458894 1118382053 /nfs/dbraw/zinc/38/20/53/1118382053.db2.gz HIRLDSMUZGEVJQ-UHFFFAOYSA-N 2 2 338.883 2.825 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCC(C)C ZINC001485478974 1118405808 /nfs/dbraw/zinc/40/58/08/1118405808.db2.gz DMMRKEQJCDQNFT-UXHICEINSA-N 2 2 347.547 2.881 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCC(C)C ZINC001485478974 1118405812 /nfs/dbraw/zinc/40/58/12/1118405812.db2.gz DMMRKEQJCDQNFT-UXHICEINSA-N 2 2 347.547 2.881 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC(C)C ZINC001485478974 1118405814 /nfs/dbraw/zinc/40/58/14/1118405814.db2.gz DMMRKEQJCDQNFT-UXHICEINSA-N 2 2 347.547 2.881 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC(C)C ZINC001485478974 1118405816 /nfs/dbraw/zinc/40/58/16/1118405816.db2.gz DMMRKEQJCDQNFT-UXHICEINSA-N 2 2 347.547 2.881 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001272742107 1120212047 /nfs/dbraw/zinc/21/20/47/1120212047.db2.gz LAMOTMIYRIPBNK-QAQDUYKDSA-N 2 2 332.492 2.767 10 30 EFEELP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485820119 1120222487 /nfs/dbraw/zinc/22/24/87/1120222487.db2.gz OPIQDKDRGVPUML-IBGZPJMESA-N 2 2 338.455 2.889 10 30 EFEELP [NH2+]=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000261977944 283260922 /nfs/dbraw/zinc/26/09/22/283260922.db2.gz OEOLUVHMZNLIKI-QGZVFWFLSA-N 2 2 340.496 2.914 10 30 EFEELP [NH2+]=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000261977944 283260926 /nfs/dbraw/zinc/26/09/26/283260926.db2.gz OEOLUVHMZNLIKI-QGZVFWFLSA-N 2 2 340.496 2.914 10 30 EFEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000170912428 239135399 /nfs/dbraw/zinc/13/53/99/239135399.db2.gz SQNXWUAKNOXJCM-UHFFFAOYSA-N 2 2 332.411 2.683 10 30 EFEELP C[N@H+](CCN1CC[NH+](CC#Cc2ccccc2)CC1)Cc1ccccc1 ZINC000192016032 240020991 /nfs/dbraw/zinc/02/09/91/240020991.db2.gz DWQAKTZZKSWASV-UHFFFAOYSA-N 2 2 347.506 2.788 10 30 EFEELP C[N@@H+](CCN1CC[NH+](CC#Cc2ccccc2)CC1)Cc1ccccc1 ZINC000192016032 240020997 /nfs/dbraw/zinc/02/09/97/240020997.db2.gz DWQAKTZZKSWASV-UHFFFAOYSA-N 2 2 347.506 2.788 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261820561 240327629 /nfs/dbraw/zinc/32/76/29/240327629.db2.gz PJFWTBXCBNBMPL-HOCLYGCPSA-N 2 2 335.517 2.710 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261820561 240327636 /nfs/dbraw/zinc/32/76/36/240327636.db2.gz PJFWTBXCBNBMPL-HOCLYGCPSA-N 2 2 335.517 2.710 10 30 EFEELP C=CCNC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441379342 250026660 /nfs/dbraw/zinc/02/66/60/250026660.db2.gz PAHSADBRCSWVPS-FUHWJXTLSA-N 2 2 326.444 2.522 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449394073 251011250 /nfs/dbraw/zinc/01/12/50/251011250.db2.gz FBNMZJGURMRMCH-KBWCOIMZSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449394073 251011254 /nfs/dbraw/zinc/01/12/54/251011254.db2.gz FBNMZJGURMRMCH-KBWCOIMZSA-N 2 2 341.499 2.827 10 30 EFEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000449398645 251014195 /nfs/dbraw/zinc/01/41/95/251014195.db2.gz YNWLSBNUNWBHIU-INIZCTEOSA-N 2 2 338.879 2.841 10 30 EFEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000449398645 251014200 /nfs/dbraw/zinc/01/42/00/251014200.db2.gz YNWLSBNUNWBHIU-INIZCTEOSA-N 2 2 338.879 2.841 10 30 EFEELP C=CC[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000268833806 252283463 /nfs/dbraw/zinc/28/34/63/252283463.db2.gz ARKBMPSVHWPIGA-UHFFFAOYSA-N 3 2 327.516 2.934 10 30 EFEELP C=CCN1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000268833806 252283465 /nfs/dbraw/zinc/28/34/65/252283465.db2.gz ARKBMPSVHWPIGA-UHFFFAOYSA-N 2 2 327.516 2.934 10 30 EFEELP C=CC[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000268833806 252283467 /nfs/dbraw/zinc/28/34/67/252283467.db2.gz ARKBMPSVHWPIGA-UHFFFAOYSA-N 2 2 327.516 2.934 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cc(C#N)cs3)CCC[NH+]2C)cn1 ZINC000328629422 258030049 /nfs/dbraw/zinc/03/00/49/258030049.db2.gz IESBZYBJLCHUSN-MAUKXSAKSA-N 2 2 343.500 2.868 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cc(C#N)cs3)CCC[NH+]2C)cn1 ZINC000328629422 258030051 /nfs/dbraw/zinc/03/00/51/258030051.db2.gz IESBZYBJLCHUSN-MAUKXSAKSA-N 2 2 343.500 2.868 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc(C#N)cs3)CCC[N@@H+]2C)cn1 ZINC000328629422 258030053 /nfs/dbraw/zinc/03/00/53/258030053.db2.gz IESBZYBJLCHUSN-MAUKXSAKSA-N 2 2 343.500 2.868 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc(C#N)cs3)CCC[N@H+]2C)cn1 ZINC000328629422 258030054 /nfs/dbraw/zinc/03/00/54/258030054.db2.gz IESBZYBJLCHUSN-MAUKXSAKSA-N 2 2 343.500 2.868 10 30 EFEELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)CCO1 ZINC000352841687 146330843 /nfs/dbraw/zinc/33/08/43/146330843.db2.gz RYGQFYDRSPFPGS-CQSZACIVSA-N 2 2 342.468 2.525 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)CCO1 ZINC000352841687 146330846 /nfs/dbraw/zinc/33/08/46/146330846.db2.gz RYGQFYDRSPFPGS-CQSZACIVSA-N 2 2 342.468 2.525 10 30 EFEELP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000372601576 151036462 /nfs/dbraw/zinc/03/64/62/151036462.db2.gz QVLYBJRAMPQMDM-IBGZPJMESA-N 2 2 345.450 2.912 10 30 EFEELP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000372601576 151036465 /nfs/dbraw/zinc/03/64/65/151036465.db2.gz QVLYBJRAMPQMDM-IBGZPJMESA-N 2 2 345.450 2.912 10 30 EFEELP COc1cc(C#N)ccc1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209949 151301867 /nfs/dbraw/zinc/30/18/67/151301867.db2.gz SCFJQOPGYZDWLW-UHFFFAOYSA-N 2 2 326.400 2.548 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000527738937 270034543 /nfs/dbraw/zinc/03/45/43/270034543.db2.gz LKVWNVGLAZCUCS-IBGZPJMESA-N 2 2 327.472 2.929 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470133 270037171 /nfs/dbraw/zinc/03/71/71/270037171.db2.gz OUPJGFXJQKMJAQ-RDTXWAMCSA-N 2 2 329.444 2.507 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470133 270037172 /nfs/dbraw/zinc/03/71/72/270037172.db2.gz OUPJGFXJQKMJAQ-RDTXWAMCSA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470133 270037174 /nfs/dbraw/zinc/03/71/74/270037174.db2.gz OUPJGFXJQKMJAQ-RDTXWAMCSA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470133 270037175 /nfs/dbraw/zinc/03/71/75/270037175.db2.gz OUPJGFXJQKMJAQ-RDTXWAMCSA-N 2 2 329.444 2.507 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470132 270037185 /nfs/dbraw/zinc/03/71/85/270037185.db2.gz OUPJGFXJQKMJAQ-KSSFIOAISA-N 2 2 329.444 2.507 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470132 270037186 /nfs/dbraw/zinc/03/71/86/270037186.db2.gz OUPJGFXJQKMJAQ-KSSFIOAISA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470132 270037187 /nfs/dbraw/zinc/03/71/87/270037187.db2.gz OUPJGFXJQKMJAQ-KSSFIOAISA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470132 270037189 /nfs/dbraw/zinc/03/71/89/270037189.db2.gz OUPJGFXJQKMJAQ-KSSFIOAISA-N 2 2 329.444 2.507 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252406 268222277 /nfs/dbraw/zinc/22/22/77/268222277.db2.gz GZIMXDRDZSOSBH-MAUKXSAKSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252406 268222280 /nfs/dbraw/zinc/22/22/80/268222280.db2.gz GZIMXDRDZSOSBH-MAUKXSAKSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252406 268222281 /nfs/dbraw/zinc/22/22/81/268222281.db2.gz GZIMXDRDZSOSBH-MAUKXSAKSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252406 268222284 /nfs/dbraw/zinc/22/22/84/268222284.db2.gz GZIMXDRDZSOSBH-MAUKXSAKSA-N 2 2 340.427 2.915 10 30 EFEELP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824527 324038999 /nfs/dbraw/zinc/03/89/99/324038999.db2.gz LSGPSWDJUMLSGD-FQEVSTJZSA-N 2 2 335.451 2.770 10 30 EFEELP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000579824527 324039003 /nfs/dbraw/zinc/03/90/03/324039003.db2.gz LSGPSWDJUMLSGD-FQEVSTJZSA-N 2 2 335.451 2.770 10 30 EFEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000190471261 473285166 /nfs/dbraw/zinc/28/51/66/473285166.db2.gz QBUSKVSGSADJGN-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000190471261 473285173 /nfs/dbraw/zinc/28/51/73/473285173.db2.gz QBUSKVSGSADJGN-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190471261 473285176 /nfs/dbraw/zinc/28/51/76/473285176.db2.gz QBUSKVSGSADJGN-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000190471261 473285163 /nfs/dbraw/zinc/28/51/63/473285163.db2.gz QBUSKVSGSADJGN-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000057847084 472483974 /nfs/dbraw/zinc/48/39/74/472483974.db2.gz DRJCAPCBNPCBQB-UHFFFAOYSA-N 2 2 334.489 2.612 10 30 EFEELP N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812588 472992177 /nfs/dbraw/zinc/99/21/77/472992177.db2.gz NEFGZGNEBXIXES-INIZCTEOSA-N 2 2 332.411 2.535 10 30 EFEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812588 472992182 /nfs/dbraw/zinc/99/21/82/472992182.db2.gz NEFGZGNEBXIXES-INIZCTEOSA-N 2 2 332.411 2.535 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095416 473146503 /nfs/dbraw/zinc/14/65/03/473146503.db2.gz AXFDAOOQLVZLMX-CXAGYDPISA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095416 473146509 /nfs/dbraw/zinc/14/65/09/473146509.db2.gz AXFDAOOQLVZLMX-CXAGYDPISA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095416 473146516 /nfs/dbraw/zinc/14/65/16/473146516.db2.gz AXFDAOOQLVZLMX-CXAGYDPISA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095416 473146522 /nfs/dbraw/zinc/14/65/22/473146522.db2.gz AXFDAOOQLVZLMX-CXAGYDPISA-N 2 2 348.878 2.812 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)n2c1 ZINC000123778666 473185199 /nfs/dbraw/zinc/18/51/99/473185199.db2.gz SFDOUWXVCHONGU-LJQANCHMSA-N 2 2 345.450 2.960 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)n2c1 ZINC000123778666 473185207 /nfs/dbraw/zinc/18/52/07/473185207.db2.gz SFDOUWXVCHONGU-LJQANCHMSA-N 2 2 345.450 2.960 10 30 EFEELP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180322972 473852844 /nfs/dbraw/zinc/85/28/44/473852844.db2.gz DVAVIPCEVDZYDS-LJQANCHMSA-N 2 2 341.455 2.550 10 30 EFEELP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180322972 473852852 /nfs/dbraw/zinc/85/28/52/473852852.db2.gz DVAVIPCEVDZYDS-LJQANCHMSA-N 2 2 341.455 2.550 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282060037 473933820 /nfs/dbraw/zinc/93/38/20/473933820.db2.gz MPNYZYCCKYVRHT-QGZVFWFLSA-N 2 2 344.503 2.823 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282060037 473933827 /nfs/dbraw/zinc/93/38/27/473933827.db2.gz MPNYZYCCKYVRHT-QGZVFWFLSA-N 2 2 344.503 2.823 10 30 EFEELP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663430 473934960 /nfs/dbraw/zinc/93/49/60/473934960.db2.gz BEDMZIZEIKHYNP-INIZCTEOSA-N 2 2 326.444 2.948 10 30 EFEELP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670721 473935521 /nfs/dbraw/zinc/93/55/21/473935521.db2.gz JQPXCMKZDKZJAB-JKSUJKDBSA-N 2 2 339.443 2.531 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246069 474097962 /nfs/dbraw/zinc/09/79/62/474097962.db2.gz UEAYLVMWUDOZOI-LRDDRELGSA-N 2 2 348.516 2.837 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246069 474097968 /nfs/dbraw/zinc/09/79/68/474097968.db2.gz UEAYLVMWUDOZOI-LRDDRELGSA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246069 474097971 /nfs/dbraw/zinc/09/79/71/474097971.db2.gz UEAYLVMWUDOZOI-LRDDRELGSA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246069 474097975 /nfs/dbraw/zinc/09/79/75/474097975.db2.gz UEAYLVMWUDOZOI-LRDDRELGSA-N 2 2 348.516 2.837 10 30 EFEELP C[C@H](c1ccc(C#N)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182617406 474219786 /nfs/dbraw/zinc/21/97/86/474219786.db2.gz JWNFTMYFGYJUIT-ZEDDUWKQSA-N 2 2 338.499 2.862 10 30 EFEELP C[C@H](c1ccc(C#N)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182617406 474219794 /nfs/dbraw/zinc/21/97/94/474219794.db2.gz JWNFTMYFGYJUIT-ZEDDUWKQSA-N 2 2 338.499 2.862 10 30 EFEELP CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000242147520 474558770 /nfs/dbraw/zinc/55/87/70/474558770.db2.gz WSKAPUJRFIQVSA-QGZVFWFLSA-N 2 2 339.439 2.822 10 30 EFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257799 480132074 /nfs/dbraw/zinc/13/20/74/480132074.db2.gz FFPLXHRNWBBNCP-OAHLLOKOSA-N 2 2 343.818 2.684 10 30 EFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257799 480132080 /nfs/dbraw/zinc/13/20/80/480132080.db2.gz FFPLXHRNWBBNCP-OAHLLOKOSA-N 2 2 343.818 2.684 10 30 EFEELP CC1(C#N)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285708961 475039364 /nfs/dbraw/zinc/03/93/64/475039364.db2.gz SCPIAKKHMJEIND-UHFFFAOYSA-N 2 2 326.488 2.824 10 30 EFEELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(F)F ZINC000295136112 475106084 /nfs/dbraw/zinc/10/60/84/475106084.db2.gz YUDRWQNJXCNQHW-IAGOWNOFSA-N 2 2 337.414 2.517 10 30 EFEELP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000343078330 475748972 /nfs/dbraw/zinc/74/89/72/475748972.db2.gz FBWKNGORTIWTNX-UHFFFAOYSA-N 2 2 327.453 2.742 10 30 EFEELP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000343088441 475757839 /nfs/dbraw/zinc/75/78/39/475757839.db2.gz YCECSNAJBFXHJN-UHFFFAOYSA-N 2 2 327.453 2.742 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637813 475792849 /nfs/dbraw/zinc/79/28/49/475792849.db2.gz WXWULFAEQXNNAQ-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637813 475792857 /nfs/dbraw/zinc/79/28/57/475792857.db2.gz WXWULFAEQXNNAQ-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637813 475792862 /nfs/dbraw/zinc/79/28/62/475792862.db2.gz WXWULFAEQXNNAQ-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000348637813 475792871 /nfs/dbraw/zinc/79/28/71/475792871.db2.gz WXWULFAEQXNNAQ-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000298478739 476106970 /nfs/dbraw/zinc/10/69/70/476106970.db2.gz IZTAJFJOKDYMEI-TZIWHRDSSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000298478739 476106979 /nfs/dbraw/zinc/10/69/79/476106979.db2.gz IZTAJFJOKDYMEI-TZIWHRDSSA-N 2 2 348.450 2.922 10 30 EFEELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C[C@@H](C)C#N)C3CC3)c2cc1C ZINC000336880196 476170845 /nfs/dbraw/zinc/17/08/45/476170845.db2.gz PEOZFCDBQXJOSI-GUYCJALGSA-N 2 2 326.444 2.638 10 30 EFEELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C[C@@H](C)C#N)C3CC3)c2cc1C ZINC000336880196 476170850 /nfs/dbraw/zinc/17/08/50/476170850.db2.gz PEOZFCDBQXJOSI-GUYCJALGSA-N 2 2 326.444 2.638 10 30 EFEELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C#N)cc1F ZINC000423229172 476968897 /nfs/dbraw/zinc/96/88/97/476968897.db2.gz GQBRFLPEHNTBHY-ZDUSSCGKSA-N 2 2 325.391 2.675 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420409502 477754107 /nfs/dbraw/zinc/75/41/07/477754107.db2.gz XBTDSFDPEBLQFC-PKOBYXMFSA-N 2 2 329.488 2.938 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420409502 477754114 /nfs/dbraw/zinc/75/41/14/477754114.db2.gz XBTDSFDPEBLQFC-PKOBYXMFSA-N 2 2 329.488 2.938 10 30 EFEELP C[NH+](C)CCN(Cc1ccsc1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000459756759 478076660 /nfs/dbraw/zinc/07/66/60/478076660.db2.gz UFRDROGVQIVTHP-UHFFFAOYSA-N 2 2 339.468 2.831 10 30 EFEELP Cn1c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2[nH+]c1C1CC1 ZINC000594444778 478392331 /nfs/dbraw/zinc/39/23/31/478392331.db2.gz CNTKAZFVFGVHNR-AWEZNQCLSA-N 2 2 325.416 2.800 10 30 EFEELP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000594444991 478392607 /nfs/dbraw/zinc/39/26/07/478392607.db2.gz HMAZQMSSEFTIFT-KRWDZBQOSA-N 2 2 349.438 2.952 10 30 EFEELP C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987779 478420368 /nfs/dbraw/zinc/42/03/68/478420368.db2.gz MWCIYUMXICAVLM-PXNSSMCTSA-N 2 2 345.918 2.649 10 30 EFEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000600720647 478483142 /nfs/dbraw/zinc/48/31/42/478483142.db2.gz IMUSEGHNOQWVFH-OALUTQOASA-N 2 2 327.472 2.685 10 30 EFEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000600720647 478483147 /nfs/dbraw/zinc/48/31/47/478483147.db2.gz IMUSEGHNOQWVFH-OALUTQOASA-N 2 2 327.472 2.685 10 30 EFEELP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736607 478496489 /nfs/dbraw/zinc/49/64/89/478496489.db2.gz RRSMKPOBCMYFPQ-MOPGFXCFSA-N 2 2 327.472 2.541 10 30 EFEELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736607 478496492 /nfs/dbraw/zinc/49/64/92/478496492.db2.gz RRSMKPOBCMYFPQ-MOPGFXCFSA-N 2 2 327.472 2.541 10 30 EFEELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736612 478497347 /nfs/dbraw/zinc/49/73/47/478497347.db2.gz RRSMKPOBCMYFPQ-RTBURBONSA-N 2 2 327.472 2.541 10 30 EFEELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600736612 478497354 /nfs/dbraw/zinc/49/73/54/478497354.db2.gz RRSMKPOBCMYFPQ-RTBURBONSA-N 2 2 327.472 2.541 10 30 EFEELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC1 ZINC000600740882 478500033 /nfs/dbraw/zinc/50/00/33/478500033.db2.gz XHHUOPGJKGOGCG-GOSISDBHSA-N 2 2 327.472 2.685 10 30 EFEELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC1 ZINC000600740882 478500041 /nfs/dbraw/zinc/50/00/41/478500041.db2.gz XHHUOPGJKGOGCG-GOSISDBHSA-N 2 2 327.472 2.685 10 30 EFEELP COC1CC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594967591 478609866 /nfs/dbraw/zinc/60/98/66/478609866.db2.gz UETXORACZAEAKY-UHFFFAOYSA-N 2 2 327.472 2.927 10 30 EFEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000594996747 478621924 /nfs/dbraw/zinc/62/19/24/478621924.db2.gz YZHYMMVRVIHGHQ-GOSISDBHSA-N 2 2 340.496 2.526 10 30 EFEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000594996747 478621926 /nfs/dbraw/zinc/62/19/26/478621926.db2.gz YZHYMMVRVIHGHQ-GOSISDBHSA-N 2 2 340.496 2.526 10 30 EFEELP COCC1(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000572601429 478878202 /nfs/dbraw/zinc/87/82/02/478878202.db2.gz MQCFZQHJMZRWQA-UHFFFAOYSA-N 2 2 327.472 2.929 10 30 EFEELP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000565045343 478896127 /nfs/dbraw/zinc/89/61/27/478896127.db2.gz YNRKTRSWFKKJKU-GUYCJALGSA-N 2 2 325.372 2.746 10 30 EFEELP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000565045343 478896133 /nfs/dbraw/zinc/89/61/33/478896133.db2.gz YNRKTRSWFKKJKU-GUYCJALGSA-N 2 2 325.372 2.746 10 30 EFEELP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000565045344 478897383 /nfs/dbraw/zinc/89/73/83/478897383.db2.gz YNRKTRSWFKKJKU-SUMWQHHRSA-N 2 2 325.372 2.746 10 30 EFEELP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000565045344 478897391 /nfs/dbraw/zinc/89/73/91/478897391.db2.gz YNRKTRSWFKKJKU-SUMWQHHRSA-N 2 2 325.372 2.746 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000598719882 478989393 /nfs/dbraw/zinc/98/93/93/478989393.db2.gz KMMAFDYRUFBVHK-RBUKOAKNSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000598719882 478989397 /nfs/dbraw/zinc/98/93/97/478989397.db2.gz KMMAFDYRUFBVHK-RBUKOAKNSA-N 2 2 329.488 2.931 10 30 EFEELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CC[C@@H](CC#N)C3)c2cc1C ZINC000566122444 479085684 /nfs/dbraw/zinc/08/56/84/479085684.db2.gz LQMGHFXUFAWPEV-YESZJQIVSA-N 2 2 326.444 2.686 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000599009403 479124303 /nfs/dbraw/zinc/12/43/03/479124303.db2.gz KPEMRJIYZZKLOF-UXHICEINSA-N 2 2 325.456 2.680 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000599663166 479378634 /nfs/dbraw/zinc/37/86/34/479378634.db2.gz CSJJKGSYBZBOHH-UHFFFAOYSA-N 2 2 349.519 2.664 10 30 EFEELP COc1ncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000602704744 479489581 /nfs/dbraw/zinc/48/95/81/479489581.db2.gz HTHNGAQPLVELHW-UHFFFAOYSA-N 2 2 342.468 2.778 10 30 EFEELP C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000638453836 480733422 /nfs/dbraw/zinc/73/34/22/480733422.db2.gz AIWGTYPLUZWRPV-SFHVURJKSA-N 2 2 340.471 2.520 10 30 EFEELP C=CC[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000636855807 481159898 /nfs/dbraw/zinc/15/98/98/481159898.db2.gz MFVGKMLBCNRNLF-GOSISDBHSA-N 2 2 348.535 2.544 10 30 EFEELP C=CC[C@]1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000662664594 481922968 /nfs/dbraw/zinc/92/29/68/481922968.db2.gz SUNWSHBKXNPXKY-LJQANCHMSA-N 2 2 326.444 2.549 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660709686 482104260 /nfs/dbraw/zinc/10/42/60/482104260.db2.gz AERBENZKUFZRGS-AOIWGVFYSA-N 2 2 348.535 2.589 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660709686 482104267 /nfs/dbraw/zinc/10/42/67/482104267.db2.gz AERBENZKUFZRGS-AOIWGVFYSA-N 2 2 348.535 2.589 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443806 521712517 /nfs/dbraw/zinc/71/25/17/521712517.db2.gz XKSLFNKUKBHYRR-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443806 521712518 /nfs/dbraw/zinc/71/25/18/521712518.db2.gz XKSLFNKUKBHYRR-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443806 521712520 /nfs/dbraw/zinc/71/25/20/521712520.db2.gz XKSLFNKUKBHYRR-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443806 521712522 /nfs/dbraw/zinc/71/25/22/521712522.db2.gz XKSLFNKUKBHYRR-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515621 524266653 /nfs/dbraw/zinc/26/66/53/524266653.db2.gz XCVOUJCLLZOMLX-DOTOQJQBSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515621 524266663 /nfs/dbraw/zinc/26/66/63/524266663.db2.gz XCVOUJCLLZOMLX-DOTOQJQBSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734193 524278435 /nfs/dbraw/zinc/27/84/35/524278435.db2.gz UGFCRDLCPBJIRF-INIZCTEOSA-N 2 2 340.471 2.693 10 30 EFEELP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000177911154 526454644 /nfs/dbraw/zinc/45/46/44/526454644.db2.gz UPCDASZTHDTOCN-CQSZACIVSA-N 2 2 331.460 2.955 10 30 EFEELP N#Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000090107752 526674240 /nfs/dbraw/zinc/67/42/40/526674240.db2.gz UKEWTXSVTDNRIT-UHFFFAOYSA-N 2 2 336.439 2.586 10 30 EFEELP N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000760892695 576085879 /nfs/dbraw/zinc/08/58/79/576085879.db2.gz NRMBSMWQZJKREK-UHFFFAOYSA-N 2 2 342.830 2.960 10 30 EFEELP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761010906 576101077 /nfs/dbraw/zinc/10/10/77/576101077.db2.gz NMYPTVUWEMSIPO-QZTJIDSGSA-N 2 2 342.483 2.710 10 30 EFEELP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761010906 576101079 /nfs/dbraw/zinc/10/10/79/576101079.db2.gz NMYPTVUWEMSIPO-QZTJIDSGSA-N 2 2 342.483 2.710 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000772983985 581385591 /nfs/dbraw/zinc/38/55/91/581385591.db2.gz BPDXLHLNQCCMNS-ZTFGCOKTSA-N 2 2 343.471 2.948 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OC ZINC000772983985 581385593 /nfs/dbraw/zinc/38/55/93/581385593.db2.gz BPDXLHLNQCCMNS-ZTFGCOKTSA-N 2 2 343.471 2.948 10 30 EFEELP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691353785 1248689049 /nfs/dbraw/zinc/68/90/49/1248689049.db2.gz OUNSRYLSTVNKRA-PBHICJAKSA-N 2 2 326.444 2.659 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691386485 1248721843 /nfs/dbraw/zinc/72/18/43/1248721843.db2.gz VIORJQYQHHUOHY-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691386485 1248721847 /nfs/dbraw/zinc/72/18/47/1248721847.db2.gz VIORJQYQHHUOHY-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691500965 1249848812 /nfs/dbraw/zinc/84/88/12/1249848812.db2.gz AGVSWAMXVQRCME-ULQDDVLXSA-N 2 2 344.503 2.601 10 30 EFEELP C=C(C)CC[N@H+](CCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001691230412 1248554848 /nfs/dbraw/zinc/55/48/48/1248554848.db2.gz CLNWAYPXLRIKFR-UHFFFAOYSA-N 2 2 340.471 2.732 10 30 EFEELP C=C(C)CC[N@@H+](CCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001691230412 1248554859 /nfs/dbraw/zinc/55/48/59/1248554859.db2.gz CLNWAYPXLRIKFR-UHFFFAOYSA-N 2 2 340.471 2.732 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001691558355 1251770295 /nfs/dbraw/zinc/77/02/95/1251770295.db2.gz WCFHGMCWOICRGO-CEXWTWQISA-N 2 2 344.503 2.827 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001691558355 1251770308 /nfs/dbraw/zinc/77/03/08/1251770308.db2.gz WCFHGMCWOICRGO-CEXWTWQISA-N 2 2 344.503 2.827 10 30 EFEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691620412 1251836566 /nfs/dbraw/zinc/83/65/66/1251836566.db2.gz KTQSHGZGLRTNBQ-KRWDZBQOSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001484390370 1252498276 /nfs/dbraw/zinc/49/82/76/1252498276.db2.gz MRNPWGDLEIZWQF-BJWYYQGGSA-N 2 2 330.476 2.586 10 30 EFEELP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001484390370 1252498278 /nfs/dbraw/zinc/49/82/78/1252498278.db2.gz MRNPWGDLEIZWQF-BJWYYQGGSA-N 2 2 330.476 2.586 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001484466609 1252675034 /nfs/dbraw/zinc/67/50/34/1252675034.db2.gz ZKRBMSBABHLRNR-HZPDHXFCSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001484466609 1252675043 /nfs/dbraw/zinc/67/50/43/1252675043.db2.gz ZKRBMSBABHLRNR-HZPDHXFCSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466609 1252675054 /nfs/dbraw/zinc/67/50/54/1252675054.db2.gz ZKRBMSBABHLRNR-HZPDHXFCSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001484466609 1252675062 /nfs/dbraw/zinc/67/50/62/1252675062.db2.gz ZKRBMSBABHLRNR-HZPDHXFCSA-N 2 2 341.927 2.782 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484466294 1252675749 /nfs/dbraw/zinc/67/57/49/1252675749.db2.gz XEPYRQCALCRBQO-RYQLBKOJSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484466294 1252675763 /nfs/dbraw/zinc/67/57/63/1252675763.db2.gz XEPYRQCALCRBQO-RYQLBKOJSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484466294 1252675770 /nfs/dbraw/zinc/67/57/70/1252675770.db2.gz XEPYRQCALCRBQO-RYQLBKOJSA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484466294 1252675777 /nfs/dbraw/zinc/67/57/77/1252675777.db2.gz XEPYRQCALCRBQO-RYQLBKOJSA-N 2 2 330.476 2.620 10 30 EFEELP N#Cc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000921514012 1256822546 /nfs/dbraw/zinc/82/25/46/1256822546.db2.gz GZYKTHQMULTGHB-UHFFFAOYSA-N 2 2 340.496 2.922 10 30 EFEELP C=CCCCCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001272810168 1259098885 /nfs/dbraw/zinc/09/88/85/1259098885.db2.gz CZSNMDMTWYHCLE-UHFFFAOYSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670965030 1259129582 /nfs/dbraw/zinc/12/95/82/1259129582.db2.gz MQQHWOSJJTZDRL-JQHSSLGASA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670965030 1259129588 /nfs/dbraw/zinc/12/95/88/1259129588.db2.gz MQQHWOSJJTZDRL-JQHSSLGASA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670965030 1259129594 /nfs/dbraw/zinc/12/95/94/1259129594.db2.gz MQQHWOSJJTZDRL-JQHSSLGASA-N 2 2 330.476 2.620 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670965030 1259129597 /nfs/dbraw/zinc/12/95/97/1259129597.db2.gz MQQHWOSJJTZDRL-JQHSSLGASA-N 2 2 330.476 2.620 10 30 EFEELP C#CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCCC1 ZINC001670977269 1259258799 /nfs/dbraw/zinc/25/87/99/1259258799.db2.gz OZBBPQAQOCSMPG-UHFFFAOYSA-N 2 2 344.503 2.701 10 30 EFEELP C#CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCCC1 ZINC001670977269 1259258804 /nfs/dbraw/zinc/25/88/04/1259258804.db2.gz OZBBPQAQOCSMPG-UHFFFAOYSA-N 2 2 344.503 2.701 10 30 EFEELP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001486239103 1262837013 /nfs/dbraw/zinc/83/70/13/1262837013.db2.gz WPCXDHBQCVZAOF-QGZVFWFLSA-N 2 2 345.487 2.650 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001486401903 1263047587 /nfs/dbraw/zinc/04/75/87/1263047587.db2.gz BIGSAPHAWDIRRJ-HZPDHXFCSA-N 2 2 332.492 2.532 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001486403230 1263052869 /nfs/dbraw/zinc/05/28/69/1263052869.db2.gz NDKQLCUVYAMUPL-RDJZCZTQSA-N 2 2 332.492 2.532 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511893 1263287595 /nfs/dbraw/zinc/28/75/95/1263287595.db2.gz PUPDIJDMFQCSGJ-WMZOPIPTSA-N 2 2 342.487 2.549 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511893 1263287597 /nfs/dbraw/zinc/28/75/97/1263287597.db2.gz PUPDIJDMFQCSGJ-WMZOPIPTSA-N 2 2 342.487 2.549 10 30 EFEELP N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000922138313 1264490766 /nfs/dbraw/zinc/49/07/66/1264490766.db2.gz JEPCOCWPCHGFIU-GFCCVEGCSA-N 2 2 331.217 2.691 10 30 EFEELP Cn1nc2c(c1C[NH2+]C1CC[NH+](Cc3cccc(C#N)c3)CC1)CCC2 ZINC000922221407 1265020563 /nfs/dbraw/zinc/02/05/63/1265020563.db2.gz YXTOHBDDDRKYPQ-UHFFFAOYSA-N 2 2 349.482 2.535 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001691666816 1265182977 /nfs/dbraw/zinc/18/29/77/1265182977.db2.gz FIHNMXLTRFQDAE-MRXNPFEDSA-N 2 2 345.487 2.816 10 30 EFEELP COc1cccc(O)c1/C=N\CC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741845866 1269730485 /nfs/dbraw/zinc/73/04/85/1269730485.db2.gz YHUKVYZMZXWDKB-QNGOZBTKSA-N 2 2 345.487 2.770 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001411202201 1271908963 /nfs/dbraw/zinc/90/89/63/1271908963.db2.gz VDTDIYZNHYAZLF-IYBDPMFKSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001411202201 1271908973 /nfs/dbraw/zinc/90/89/73/1271908973.db2.gz VDTDIYZNHYAZLF-IYBDPMFKSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001411202201 1271908981 /nfs/dbraw/zinc/90/89/81/1271908981.db2.gz VDTDIYZNHYAZLF-IYBDPMFKSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001411202201 1271908991 /nfs/dbraw/zinc/90/89/91/1271908991.db2.gz VDTDIYZNHYAZLF-IYBDPMFKSA-N 2 2 329.916 2.781 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001691697092 1280395217 /nfs/dbraw/zinc/39/52/17/1280395217.db2.gz PLCBBKQMWZLPOH-SQNIBIBYSA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001691697092 1280395224 /nfs/dbraw/zinc/39/52/24/1280395224.db2.gz PLCBBKQMWZLPOH-SQNIBIBYSA-N 2 2 344.503 2.771 10 30 EFEELP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001277660169 1312692982 /nfs/dbraw/zinc/69/29/82/1312692982.db2.gz PCGVLFHTMCSBFA-QGZVFWFLSA-N 2 2 346.519 2.867 10 30 EFEELP C#C[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000824195314 1289565772 /nfs/dbraw/zinc/56/57/72/1289565772.db2.gz AUIVLDQQWXMIKW-JRGCBEDISA-N 2 2 326.484 2.852 10 30 EFEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001277740901 1312818856 /nfs/dbraw/zinc/81/88/56/1312818856.db2.gz UCULVZNCAGPKAG-PBHICJAKSA-N 2 2 326.444 2.802 10 30 EFEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000876709492 1290986398 /nfs/dbraw/zinc/98/63/98/1290986398.db2.gz SJJXBLOESMFWAT-ZWNOBZJWSA-N 2 2 342.896 2.783 10 30 EFEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000876709492 1290986406 /nfs/dbraw/zinc/98/64/06/1290986406.db2.gz SJJXBLOESMFWAT-ZWNOBZJWSA-N 2 2 342.896 2.783 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276310321 1292339557 /nfs/dbraw/zinc/33/95/57/1292339557.db2.gz GIDWFKHESIZFIZ-KRWDZBQOSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276310321 1292339567 /nfs/dbraw/zinc/33/95/67/1292339567.db2.gz GIDWFKHESIZFIZ-KRWDZBQOSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001277969418 1313387973 /nfs/dbraw/zinc/38/79/73/1313387973.db2.gz SKLCAMPIHGYGRC-IRXDYDNUSA-N 2 2 342.487 2.976 10 30 EFEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001488733976 1297700200 /nfs/dbraw/zinc/70/02/00/1297700200.db2.gz AMFRPUWFYDERFC-WOVMCDHWSA-N 2 2 326.444 2.707 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490540506 1298949442 /nfs/dbraw/zinc/94/94/42/1298949442.db2.gz JSCXAJDFYXPGEI-YOEHRIQHSA-N 2 2 326.444 2.802 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490540506 1298949453 /nfs/dbraw/zinc/94/94/53/1298949453.db2.gz JSCXAJDFYXPGEI-YOEHRIQHSA-N 2 2 326.444 2.802 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001490687933 1299139321 /nfs/dbraw/zinc/13/93/21/1299139321.db2.gz WINDGAWNULFPQD-GOEBONIOSA-N 2 2 326.444 2.787 10 30 EFEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001490691387 1299144285 /nfs/dbraw/zinc/14/42/85/1299144285.db2.gz JIZOZOUPJWEENH-LJQANCHMSA-N 2 2 338.455 2.937 10 30 EFEELP C=C(Cl)C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001691739600 1299906069 /nfs/dbraw/zinc/90/60/69/1299906069.db2.gz NIMZCUGFDNABHH-UHFFFAOYSA-N 2 2 334.851 2.917 10 30 EFEELP C=C(Cl)C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001691739600 1299906075 /nfs/dbraw/zinc/90/60/75/1299906075.db2.gz NIMZCUGFDNABHH-UHFFFAOYSA-N 2 2 334.851 2.917 10 30 EFEELP C#CCOc1ccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)cc1 ZINC000862535685 1302408531 /nfs/dbraw/zinc/40/85/31/1302408531.db2.gz WFHUAZSVPXHIIS-UHFFFAOYSA-N 2 2 342.483 2.775 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001490805066 1303957039 /nfs/dbraw/zinc/95/70/39/1303957039.db2.gz CJHDZBJCTMMVIP-OAGGEKHMSA-N 2 2 330.476 2.717 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001490805066 1303957048 /nfs/dbraw/zinc/95/70/48/1303957048.db2.gz CJHDZBJCTMMVIP-OAGGEKHMSA-N 2 2 330.476 2.717 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001284181882 1320255268 /nfs/dbraw/zinc/25/52/68/1320255268.db2.gz ZIORTFXZQQNLFO-DLBZAZTESA-N 2 2 344.503 2.603 10 30 EFEELP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(C#N)ccn1 ZINC000902727756 1312058127 /nfs/dbraw/zinc/05/81/27/1312058127.db2.gz BSOSZNZGEZLDKL-MRXNPFEDSA-N 2 2 336.439 2.636 10 30 EFEELP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(C#N)ccn1 ZINC000902921296 1312211868 /nfs/dbraw/zinc/21/18/68/1312211868.db2.gz TXOWBEFJFZRACU-YOEHRIQHSA-N 2 2 336.443 2.662 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001277516260 1312505877 /nfs/dbraw/zinc/50/58/77/1312505877.db2.gz IDQUQLJJSQIAJS-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001277516260 1312505882 /nfs/dbraw/zinc/50/58/82/1312505882.db2.gz IDQUQLJJSQIAJS-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001277516260 1312505885 /nfs/dbraw/zinc/50/58/85/1312505885.db2.gz IDQUQLJJSQIAJS-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001277516260 1312505888 /nfs/dbraw/zinc/50/58/88/1312505888.db2.gz IDQUQLJJSQIAJS-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668051 1315454076 /nfs/dbraw/zinc/45/40/76/1315454076.db2.gz KEPIYCNLVKAJLO-XLIONFOSSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668051 1315454079 /nfs/dbraw/zinc/45/40/79/1315454079.db2.gz KEPIYCNLVKAJLO-XLIONFOSSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278677517 1315489643 /nfs/dbraw/zinc/48/96/43/1315489643.db2.gz JMNFDNXFQFZVPN-MBOZVWFJSA-N 2 2 344.503 2.708 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278677517 1315489647 /nfs/dbraw/zinc/48/96/47/1315489647.db2.gz JMNFDNXFQFZVPN-MBOZVWFJSA-N 2 2 344.503 2.708 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001264010065 1316579968 /nfs/dbraw/zinc/57/99/68/1316579968.db2.gz KLTWCKBDZFETLC-MSOLQXFVSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001264195034 1316599242 /nfs/dbraw/zinc/59/92/42/1316599242.db2.gz KXAGPDXJFCMMKB-KRWDZBQOSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001264195034 1316599245 /nfs/dbraw/zinc/59/92/45/1316599245.db2.gz KXAGPDXJFCMMKB-KRWDZBQOSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001264555234 1316630896 /nfs/dbraw/zinc/63/08/96/1316630896.db2.gz FHTPFTBXOGSMJT-SQNIBIBYSA-N 2 2 346.519 2.924 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001264586949 1316636919 /nfs/dbraw/zinc/63/69/19/1316636919.db2.gz VZQHLFSBUIQZJI-BHIYHBOVSA-N 2 2 344.503 2.845 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001264586949 1316636922 /nfs/dbraw/zinc/63/69/22/1316636922.db2.gz VZQHLFSBUIQZJI-BHIYHBOVSA-N 2 2 344.503 2.845 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001265086272 1316716492 /nfs/dbraw/zinc/71/64/92/1316716492.db2.gz PQBNGGYZXSWLKZ-WMZOPIPTSA-N 2 2 345.487 2.958 10 30 EFEELP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001265332666 1316784692 /nfs/dbraw/zinc/78/46/92/1316784692.db2.gz YOJYHCIGMNFNIG-QGZVFWFLSA-N 2 2 332.492 2.893 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001265673436 1316850606 /nfs/dbraw/zinc/85/06/06/1316850606.db2.gz FWDPCMXSKIIEQC-AEFFLSMTSA-N 2 2 345.487 2.958 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001265858051 1316894288 /nfs/dbraw/zinc/89/42/88/1316894288.db2.gz UDLZWMJCUCHZFD-UHFFFAOYSA-N 2 2 329.897 2.614 10 30 EFEELP C=C(Cl)C[N@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001265858051 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DZYPCSAYMOGRQO-APWZRJJASA-N 2 2 332.492 2.963 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001279624378 1317337015 /nfs/dbraw/zinc/33/70/15/1317337015.db2.gz IHOGQGGBIALBSE-FGTMMUONSA-N 2 2 330.476 2.723 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001279624378 1317337021 /nfs/dbraw/zinc/33/70/21/1317337021.db2.gz IHOGQGGBIALBSE-FGTMMUONSA-N 2 2 330.476 2.723 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001280351322 1317515734 /nfs/dbraw/zinc/51/57/34/1317515734.db2.gz WCQYKMZKYRLXQF-CRAIPNDOSA-N 2 2 338.455 2.599 10 30 EFEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001280356735 1317519961 /nfs/dbraw/zinc/51/99/61/1317519961.db2.gz MUNRDOLEFBTQER-KRWDZBQOSA-N 2 2 338.455 2.654 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318802710 1328705061 /nfs/dbraw/zinc/70/50/61/1328705061.db2.gz CBIBHLBYFXFRNU-QZTJIDSGSA-N 2 2 344.503 2.630 10 30 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2.534 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001316724648 1325098284 /nfs/dbraw/zinc/09/82/84/1325098284.db2.gz VCRXIKVCWVZZHJ-NEWSRXKRSA-N 2 2 344.503 2.534 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316761754 1325114757 /nfs/dbraw/zinc/11/47/57/1325114757.db2.gz ZEZIUAOFBVHVHB-MSOLQXFVSA-N 2 2 332.492 2.634 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316761754 1325114763 /nfs/dbraw/zinc/11/47/63/1325114763.db2.gz ZEZIUAOFBVHVHB-MSOLQXFVSA-N 2 2 332.492 2.634 10 30 EFEELP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001316802650 1325149084 /nfs/dbraw/zinc/14/90/84/1325149084.db2.gz NISDWKUTQMONEV-OALUTQOASA-N 2 2 344.503 2.807 10 30 EFEELP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001316802650 1325149094 /nfs/dbraw/zinc/14/90/94/1325149094.db2.gz NISDWKUTQMONEV-OALUTQOASA-N 2 2 344.503 2.807 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001316873300 1325243631 /nfs/dbraw/zinc/24/36/31/1325243631.db2.gz GDPDGTQFRQPPLO-HZPDHXFCSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317045823 1325516125 /nfs/dbraw/zinc/51/61/25/1325516125.db2.gz RQWVCOBCBYZOEE-WBVHZDCISA-N 2 2 332.492 2.786 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317045823 1325516134 /nfs/dbraw/zinc/51/61/34/1325516134.db2.gz RQWVCOBCBYZOEE-WBVHZDCISA-N 2 2 332.492 2.786 10 30 EFEELP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317367481 1327906992 /nfs/dbraw/zinc/90/69/92/1327906992.db2.gz XAJGUKXNNRQTNZ-QZTJIDSGSA-N 2 2 336.439 2.526 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317428703 1328002014 /nfs/dbraw/zinc/00/20/14/1328002014.db2.gz SSQYJOQWZFOYEY-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317428703 1328002026 /nfs/dbraw/zinc/00/20/26/1328002026.db2.gz SSQYJOQWZFOYEY-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001317693335 1328299508 /nfs/dbraw/zinc/29/95/08/1328299508.db2.gz JMMUZBNFKKBTOH-KRWDZBQOSA-N 2 2 332.492 2.628 10 30 EFEELP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001317693335 1328299516 /nfs/dbraw/zinc/29/95/16/1328299516.db2.gz JMMUZBNFKKBTOH-KRWDZBQOSA-N 2 2 332.492 2.628 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317884560 1328437369 /nfs/dbraw/zinc/43/73/69/1328437369.db2.gz UCILXRPYUFIHKH-OAHLLOKOSA-N 2 2 332.492 2.786 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317884560 1328437373 /nfs/dbraw/zinc/43/73/73/1328437373.db2.gz UCILXRPYUFIHKH-OAHLLOKOSA-N 2 2 332.492 2.786 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317976278 1328465695 /nfs/dbraw/zinc/46/56/95/1328465695.db2.gz ZUDJPZJHHIUUGT-ROUUACIJSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317976278 1328465701 /nfs/dbraw/zinc/46/57/01/1328465701.db2.gz ZUDJPZJHHIUUGT-ROUUACIJSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCO[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001322278197 1329443104 /nfs/dbraw/zinc/44/31/04/1329443104.db2.gz VQVSQZXMPRXPRM-VQTJNVASSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCO[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001322278197 1329443105 /nfs/dbraw/zinc/44/31/05/1329443105.db2.gz VQVSQZXMPRXPRM-VQTJNVASSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCO[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001322278197 1329443106 /nfs/dbraw/zinc/44/31/06/1329443106.db2.gz VQVSQZXMPRXPRM-VQTJNVASSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCO[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001322278197 1329443107 /nfs/dbraw/zinc/44/31/07/1329443107.db2.gz VQVSQZXMPRXPRM-VQTJNVASSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001323873906 1329582073 /nfs/dbraw/zinc/58/20/73/1329582073.db2.gz VAYSVKJDZWIUMR-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001323873906 1329582076 /nfs/dbraw/zinc/58/20/76/1329582076.db2.gz VAYSVKJDZWIUMR-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001324318161 1329616288 /nfs/dbraw/zinc/61/62/88/1329616288.db2.gz GUPVDBVDWMUYLL-ARFHVFGLSA-N 2 2 330.476 2.839 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001324318161 1329616289 /nfs/dbraw/zinc/61/62/89/1329616289.db2.gz GUPVDBVDWMUYLL-ARFHVFGLSA-N 2 2 330.476 2.839 10 30 EFEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCC(C)C)CC1 ZINC001324440757 1329627841 /nfs/dbraw/zinc/62/78/41/1329627841.db2.gz FQKKHFXTAQSKLY-UHFFFAOYSA-N 2 2 344.503 2.636 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001325529755 1329694645 /nfs/dbraw/zinc/69/46/45/1329694645.db2.gz FSJCKJNMXUHZDZ-WBVHZDCISA-N 2 2 332.492 2.577 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001325752987 1329710618 /nfs/dbraw/zinc/71/06/18/1329710618.db2.gz GOOAJVQBVFBNKB-ZACQAIPSSA-N 2 2 338.455 2.693 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001325752987 1329710619 /nfs/dbraw/zinc/71/06/19/1329710619.db2.gz GOOAJVQBVFBNKB-ZACQAIPSSA-N 2 2 338.455 2.693 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001325920808 1329725155 /nfs/dbraw/zinc/72/51/55/1329725155.db2.gz MYPYPBAUODQNDI-HZPDHXFCSA-N 2 2 330.476 2.719 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001325920808 1329725156 /nfs/dbraw/zinc/72/51/56/1329725156.db2.gz MYPYPBAUODQNDI-HZPDHXFCSA-N 2 2 330.476 2.719 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001326482773 1329759814 /nfs/dbraw/zinc/75/98/14/1329759814.db2.gz ZRKKAJBNVBOBHK-INIZCTEOSA-N 2 2 340.471 2.896 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001327173207 1330435602 /nfs/dbraw/zinc/43/56/02/1330435602.db2.gz OENRGJLACZBFNF-QZTJIDSGSA-N 2 2 332.492 2.989 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001327173207 1330435604 /nfs/dbraw/zinc/43/56/04/1330435604.db2.gz OENRGJLACZBFNF-QZTJIDSGSA-N 2 2 332.492 2.989 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327224835 1330444635 /nfs/dbraw/zinc/44/46/35/1330444635.db2.gz GXXLSSFLFIFJRL-IAGOWNOFSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327224835 1330444638 /nfs/dbraw/zinc/44/46/38/1330444638.db2.gz GXXLSSFLFIFJRL-IAGOWNOFSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001327462289 1330481818 /nfs/dbraw/zinc/48/18/18/1330481818.db2.gz OWDCOVRMEHOFOU-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530016 1330496167 /nfs/dbraw/zinc/49/61/67/1330496167.db2.gz MYXSKROTMQGATO-QUCCMNQESA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530016 1330496168 /nfs/dbraw/zinc/49/61/68/1330496168.db2.gz MYXSKROTMQGATO-QUCCMNQESA-N 2 2 344.503 2.942 10 30 EFEELP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001327694797 1330509584 /nfs/dbraw/zinc/50/95/84/1330509584.db2.gz CQVHVKLIPKOAJX-QGZVFWFLSA-N 2 2 339.483 2.516 10 30 EFEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001327694797 1330509586 /nfs/dbraw/zinc/50/95/86/1330509586.db2.gz CQVHVKLIPKOAJX-QGZVFWFLSA-N 2 2 339.483 2.516 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001327925404 1330530830 /nfs/dbraw/zinc/53/08/30/1330530830.db2.gz SUQPOVNNUAJDLM-WMZOPIPTSA-N 2 2 340.471 2.588 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329091198 1330665726 /nfs/dbraw/zinc/66/57/26/1330665726.db2.gz SCFSQTFLOGNTGV-HZPDHXFCSA-N 2 2 326.444 2.935 10 30 EFEELP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001329742358 1330732636 /nfs/dbraw/zinc/73/26/36/1330732636.db2.gz MYTANOYSCBOYJZ-IEBWSBKVSA-N 2 2 346.519 2.874 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001332295686 1330954414 /nfs/dbraw/zinc/95/44/14/1330954414.db2.gz ZVOHLKHUXWVJPL-FUHWJXTLSA-N 2 2 338.455 2.937 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001332310921 1330956281 /nfs/dbraw/zinc/95/62/81/1330956281.db2.gz QJEUKCILTJLIQO-IRXDYDNUSA-N 2 2 340.471 2.636 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001332991925 1331061148 /nfs/dbraw/zinc/06/11/48/1331061148.db2.gz LEQYTJKIPXJLMU-SJORKVTESA-N 2 2 332.492 2.845 10 30 EFEELP C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001333066666 1331073895 /nfs/dbraw/zinc/07/38/95/1331073895.db2.gz LCICLVFORMFLCT-UMGGQSCQSA-N 2 2 334.504 2.521 10 30 EFEELP C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001333066666 1331073897 /nfs/dbraw/zinc/07/38/97/1331073897.db2.gz LCICLVFORMFLCT-UMGGQSCQSA-N 2 2 334.504 2.521 10 30 EFEELP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)(C#N)CC3)cc2F)CC1 ZINC001342030372 1332296525 /nfs/dbraw/zinc/29/65/25/1332296525.db2.gz VUWPJXYCDUFLBE-UHFFFAOYSA-N 2 2 330.451 2.703 10 30 EFEELP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC001346627507 1332663944 /nfs/dbraw/zinc/66/39/44/1332663944.db2.gz OMDVHKQSFOKCAE-KRWDZBQOSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001346627507 1332663949 /nfs/dbraw/zinc/66/39/49/1332663949.db2.gz OMDVHKQSFOKCAE-KRWDZBQOSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001346627507 1332663957 /nfs/dbraw/zinc/66/39/57/1332663957.db2.gz OMDVHKQSFOKCAE-KRWDZBQOSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001346627507 1332663963 /nfs/dbraw/zinc/66/39/63/1332663963.db2.gz OMDVHKQSFOKCAE-KRWDZBQOSA-N 2 2 346.523 2.543 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001368705235 1339624609 /nfs/dbraw/zinc/62/46/09/1339624609.db2.gz NZMCYIBWJCCMTO-BBWFWOEESA-N 2 2 341.927 2.828 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001368705235 1339624613 /nfs/dbraw/zinc/62/46/13/1339624613.db2.gz NZMCYIBWJCCMTO-BBWFWOEESA-N 2 2 341.927 2.828 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001379723614 1347287237 /nfs/dbraw/zinc/28/72/37/1347287237.db2.gz LUCXTKAUMCXVBM-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001379723614 1347287239 /nfs/dbraw/zinc/28/72/39/1347287239.db2.gz LUCXTKAUMCXVBM-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001379723614 1347287241 /nfs/dbraw/zinc/28/72/41/1347287241.db2.gz LUCXTKAUMCXVBM-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001379723614 1347287243 /nfs/dbraw/zinc/28/72/43/1347287243.db2.gz LUCXTKAUMCXVBM-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001380793001 1347882982 /nfs/dbraw/zinc/88/29/82/1347882982.db2.gz OIYFPNYLWRQVRL-YESZJQIVSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001380793001 1347882985 /nfs/dbraw/zinc/88/29/85/1347882985.db2.gz OIYFPNYLWRQVRL-YESZJQIVSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381754597 1348502489 /nfs/dbraw/zinc/50/24/89/1348502489.db2.gz AVFOZCPOZAPKDI-MRXNPFEDSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381754597 1348502491 /nfs/dbraw/zinc/50/24/91/1348502491.db2.gz AVFOZCPOZAPKDI-MRXNPFEDSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001382100318 1348721099 /nfs/dbraw/zinc/72/10/99/1348721099.db2.gz OAWUAFCGVIKNSW-HUUCEWRRSA-N 2 2 326.872 2.659 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001394270265 1357654217 /nfs/dbraw/zinc/65/42/17/1357654217.db2.gz XRSICRZIQSAYKV-MAUKXSAKSA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001394270265 1357654222 /nfs/dbraw/zinc/65/42/22/1357654222.db2.gz XRSICRZIQSAYKV-MAUKXSAKSA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001394270264 1357654249 /nfs/dbraw/zinc/65/42/49/1357654249.db2.gz XRSICRZIQSAYKV-CRAIPNDOSA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001394270264 1357654254 /nfs/dbraw/zinc/65/42/54/1357654254.db2.gz XRSICRZIQSAYKV-CRAIPNDOSA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001401763945 1363099633 /nfs/dbraw/zinc/09/96/33/1363099633.db2.gz PCBHIGBQCQNUFH-AWEZNQCLSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001401763945 1363099639 /nfs/dbraw/zinc/09/96/39/1363099639.db2.gz PCBHIGBQCQNUFH-AWEZNQCLSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001401763945 1363099643 /nfs/dbraw/zinc/09/96/43/1363099643.db2.gz PCBHIGBQCQNUFH-AWEZNQCLSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001401763945 1363099647 /nfs/dbraw/zinc/09/96/47/1363099647.db2.gz PCBHIGBQCQNUFH-AWEZNQCLSA-N 2 2 329.916 2.828 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001400130294 1361765075 /nfs/dbraw/zinc/76/50/75/1361765075.db2.gz RNVFEEWABQCAPW-IXDOHACOSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001400130294 1361765078 /nfs/dbraw/zinc/76/50/78/1361765078.db2.gz RNVFEEWABQCAPW-IXDOHACOSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001400130294 1361765081 /nfs/dbraw/zinc/76/50/81/1361765081.db2.gz RNVFEEWABQCAPW-IXDOHACOSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001400130294 1361765084 /nfs/dbraw/zinc/76/50/84/1361765084.db2.gz RNVFEEWABQCAPW-IXDOHACOSA-N 2 2 341.927 2.782 10 30 EFEELP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001402768564 1364016520 /nfs/dbraw/zinc/01/65/20/1364016520.db2.gz CTONFFHDKHUXHA-UHFFFAOYSA-N 2 2 332.835 2.671 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001402919047 1364133988 /nfs/dbraw/zinc/13/39/88/1364133988.db2.gz AHCHKNMCUOEBMT-ZWKOTPCHSA-N 2 2 349.906 2.965 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001402919047 1364133993 /nfs/dbraw/zinc/13/39/93/1364133993.db2.gz AHCHKNMCUOEBMT-ZWKOTPCHSA-N 2 2 349.906 2.965 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001402919025 1364134373 /nfs/dbraw/zinc/13/43/73/1364134373.db2.gz AHCHKNMCUOEBMT-ROUUACIJSA-N 2 2 349.906 2.965 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001402919025 1364134376 /nfs/dbraw/zinc/13/43/76/1364134376.db2.gz AHCHKNMCUOEBMT-ROUUACIJSA-N 2 2 349.906 2.965 10 30 EFEELP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418158595 1373699532 /nfs/dbraw/zinc/69/95/32/1373699532.db2.gz MQWNWZYWZYHZMW-IRXDYDNUSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418158595 1373699538 /nfs/dbraw/zinc/69/95/38/1373699538.db2.gz MQWNWZYWZYHZMW-IRXDYDNUSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418158474 1373699863 /nfs/dbraw/zinc/69/98/63/1373699863.db2.gz MQWNWZYWZYHZMW-DLBZAZTESA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418158474 1373699867 /nfs/dbraw/zinc/69/98/67/1373699867.db2.gz MQWNWZYWZYHZMW-DLBZAZTESA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C(C)C ZINC001421658200 1378960219 /nfs/dbraw/zinc/96/02/19/1378960219.db2.gz FOFOWAOXOLKNTQ-UHFFFAOYSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C(C)C ZINC001421658200 1378960226 /nfs/dbraw/zinc/96/02/26/1378960226.db2.gz FOFOWAOXOLKNTQ-UHFFFAOYSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001421658200 1378960232 /nfs/dbraw/zinc/96/02/32/1378960232.db2.gz FOFOWAOXOLKNTQ-UHFFFAOYSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001421658200 1378960236 /nfs/dbraw/zinc/96/02/36/1378960236.db2.gz FOFOWAOXOLKNTQ-UHFFFAOYSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001422658870 1380518223 /nfs/dbraw/zinc/51/82/23/1380518223.db2.gz BBLGSCFNTDZCDV-KFWWJZLASA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001422658870 1380518227 /nfs/dbraw/zinc/51/82/27/1380518227.db2.gz BBLGSCFNTDZCDV-KFWWJZLASA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001423976625 1382579524 /nfs/dbraw/zinc/57/95/24/1382579524.db2.gz RFQFCKGRHUEPPM-BLLLJJGKSA-N 2 2 346.862 2.693 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001506961100 1406507530 /nfs/dbraw/zinc/50/75/30/1406507530.db2.gz IUMANMMKNLEQHI-MRXNPFEDSA-N 2 2 332.492 2.630 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001506961100 1406507536 /nfs/dbraw/zinc/50/75/36/1406507536.db2.gz IUMANMMKNLEQHI-MRXNPFEDSA-N 2 2 332.492 2.630 10 30 EFEELP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001473697806 1397322960 /nfs/dbraw/zinc/32/29/60/1397322960.db2.gz KFQWPOSWQSPPBG-IBGZPJMESA-N 2 2 327.472 2.932 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001479696245 1397768277 /nfs/dbraw/zinc/76/82/77/1397768277.db2.gz VJGUKJNPOBAWSV-SFHVURJKSA-N 2 2 332.492 2.990 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744775 1397800925 /nfs/dbraw/zinc/80/09/25/1397800925.db2.gz IDKJMFVCFKERHS-JKSUJKDBSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001479744775 1397800928 /nfs/dbraw/zinc/80/09/28/1397800928.db2.gz IDKJMFVCFKERHS-JKSUJKDBSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001479988349 1398072928 /nfs/dbraw/zinc/07/29/28/1398072928.db2.gz JEIGSKXVEWWPFO-GJZGRUSLSA-N 2 2 336.867 2.557 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001479990054 1398075112 /nfs/dbraw/zinc/07/51/12/1398075112.db2.gz XVAGXHQPEFPHGT-WBVHZDCISA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001479990054 1398075113 /nfs/dbraw/zinc/07/51/13/1398075113.db2.gz XVAGXHQPEFPHGT-WBVHZDCISA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001480020821 1398097301 /nfs/dbraw/zinc/09/73/01/1398097301.db2.gz KXGXQPXQNUNEKL-QGZVFWFLSA-N 2 2 326.444 2.707 10 30 EFEELP C=CCCC[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001480020813 1398097518 /nfs/dbraw/zinc/09/75/18/1398097518.db2.gz KXGXQPXQNUNEKL-KRWDZBQOSA-N 2 2 326.444 2.707 10 30 EFEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480616160 1398250395 /nfs/dbraw/zinc/25/03/95/1398250395.db2.gz GEIVSYOPKWTEOA-SJORKVTESA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001493121117 1398459360 /nfs/dbraw/zinc/45/93/60/1398459360.db2.gz RDJSDNOWIMAVOD-ROUUACIJSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001493121117 1398459363 /nfs/dbraw/zinc/45/93/63/1398459363.db2.gz RDJSDNOWIMAVOD-ROUUACIJSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001493205030 1398530282 /nfs/dbraw/zinc/53/02/82/1398530282.db2.gz ZSALIRFFDNBDGY-MRXNPFEDSA-N 2 2 326.444 2.661 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001493205030 1398530286 /nfs/dbraw/zinc/53/02/86/1398530286.db2.gz ZSALIRFFDNBDGY-MRXNPFEDSA-N 2 2 326.444 2.661 10 30 EFEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001493831137 1398910266 /nfs/dbraw/zinc/91/02/66/1398910266.db2.gz RDILDAGFCPKUPT-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494035566 1399078689 /nfs/dbraw/zinc/07/86/89/1399078689.db2.gz XFSRFNOQIJJOHY-MRXNPFEDSA-N 2 2 326.444 2.742 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494035566 1399078693 /nfs/dbraw/zinc/07/86/93/1399078693.db2.gz XFSRFNOQIJJOHY-MRXNPFEDSA-N 2 2 326.444 2.742 10 30 EFEELP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001494199243 1399207700 /nfs/dbraw/zinc/20/77/00/1399207700.db2.gz XRHUWZFYMZLBIT-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001494199243 1399207704 /nfs/dbraw/zinc/20/77/04/1399207704.db2.gz XRHUWZFYMZLBIT-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001507404670 1407016808 /nfs/dbraw/zinc/01/68/08/1407016808.db2.gz WHGXKDDZFQRGNY-GJZGRUSLSA-N 2 2 338.883 2.554 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494833391 1399491653 /nfs/dbraw/zinc/49/16/53/1399491653.db2.gz FJSLIYSUVLCZPO-ROUUACIJSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494833391 1399491659 /nfs/dbraw/zinc/49/16/59/1399491659.db2.gz FJSLIYSUVLCZPO-ROUUACIJSA-N 2 2 346.519 2.949 10 30 EFEELP C=C(C)CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001495324382 1399849007 /nfs/dbraw/zinc/84/90/07/1399849007.db2.gz JJBGAIRCUDWQBW-XLIONFOSSA-N 2 2 346.519 2.974 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001496093514 1400466692 /nfs/dbraw/zinc/46/66/92/1400466692.db2.gz VDXUFWBQEVQMGK-CABCVRRESA-N 2 2 326.872 2.659 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001496312774 1400628236 /nfs/dbraw/zinc/62/82/36/1400628236.db2.gz SPFMNVTWTCDWTP-SFHVURJKSA-N 2 2 344.503 2.605 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001497246727 1401243960 /nfs/dbraw/zinc/24/39/60/1401243960.db2.gz LJGUICWIVDPOIU-CQSZACIVSA-N 2 2 332.835 2.723 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001497289019 1401273985 /nfs/dbraw/zinc/27/39/85/1401273985.db2.gz GEMJTUQENQRYCY-MRXNPFEDSA-N 2 2 328.460 2.636 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001507828154 1407172920 /nfs/dbraw/zinc/17/29/20/1407172920.db2.gz LBTTUTAXTAQKST-HOTGVXAUSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001507828154 1407172924 /nfs/dbraw/zinc/17/29/24/1407172924.db2.gz LBTTUTAXTAQKST-HOTGVXAUSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001507828154 1407172929 /nfs/dbraw/zinc/17/29/29/1407172929.db2.gz LBTTUTAXTAQKST-HOTGVXAUSA-N 2 2 329.916 2.638 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001507828154 1407172933 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ZINC001713271855 1418439185 /nfs/dbraw/zinc/43/91/85/1418439185.db2.gz OBPJUZJPMSJVKQ-QZTJIDSGSA-N 2 2 330.476 2.695 10 30 EFEELP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001713271855 1418439189 /nfs/dbraw/zinc/43/91/89/1418439189.db2.gz OBPJUZJPMSJVKQ-QZTJIDSGSA-N 2 2 330.476 2.695 10 30 EFEELP C#CCC[NH2+]Cc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001714320332 1418600694 /nfs/dbraw/zinc/60/06/94/1418600694.db2.gz OUVBBUJAEMMWSD-UHFFFAOYSA-N 2 2 332.407 2.606 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001714570204 1418608613 /nfs/dbraw/zinc/60/86/13/1418608613.db2.gz WDNVDAJUURPFSO-INIZCTEOSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001714570204 1418608616 /nfs/dbraw/zinc/60/86/16/1418608616.db2.gz WDNVDAJUURPFSO-INIZCTEOSA-N 2 2 328.460 2.588 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001715398057 1418670453 /nfs/dbraw/zinc/67/04/53/1418670453.db2.gz 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EFEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001717041254 1419176174 /nfs/dbraw/zinc/17/61/74/1419176174.db2.gz WPMYXGKZNJJNFS-OKZBNKHCSA-N 2 2 330.476 2.551 10 30 EFEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001717041254 1419176177 /nfs/dbraw/zinc/17/61/77/1419176177.db2.gz WPMYXGKZNJJNFS-OKZBNKHCSA-N 2 2 330.476 2.551 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001717090226 1419200191 /nfs/dbraw/zinc/20/01/91/1419200191.db2.gz IQPCOTABTOBLRF-AWEZNQCLSA-N 2 2 332.835 2.529 10 30 EFEELP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001717113166 1419217562 /nfs/dbraw/zinc/21/75/62/1419217562.db2.gz GZLNVNPLXPHQGG-OAHLLOKOSA-N 2 2 326.444 2.523 10 30 EFEELP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001717113166 1419217566 /nfs/dbraw/zinc/21/75/66/1419217566.db2.gz GZLNVNPLXPHQGG-OAHLLOKOSA-N 2 2 326.444 2.523 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717197130 1419259187 /nfs/dbraw/zinc/25/91/87/1419259187.db2.gz TYWAGSRNZFBYMK-MRXNPFEDSA-N 2 2 326.444 2.885 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717197130 1419259188 /nfs/dbraw/zinc/25/91/88/1419259188.db2.gz TYWAGSRNZFBYMK-MRXNPFEDSA-N 2 2 326.444 2.885 10 30 EFEELP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717343766 1419343196 /nfs/dbraw/zinc/34/31/96/1419343196.db2.gz AARDHDAFKVSLTN-LJQANCHMSA-N 2 2 338.455 2.552 10 30 EFEELP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717343766 1419343200 /nfs/dbraw/zinc/34/32/00/1419343200.db2.gz AARDHDAFKVSLTN-LJQANCHMSA-N 2 2 338.455 2.552 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001717361111 1419354546 /nfs/dbraw/zinc/35/45/46/1419354546.db2.gz DLUMNVNIMUXVME-UYAOXDASSA-N 2 2 338.455 2.599 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367961 1419360999 /nfs/dbraw/zinc/36/09/99/1419360999.db2.gz UXELPIBWHQZYFT-QGZVFWFLSA-N 2 2 332.492 2.816 10 30 EFEELP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367961 1419361003 /nfs/dbraw/zinc/36/10/03/1419361003.db2.gz UXELPIBWHQZYFT-QGZVFWFLSA-N 2 2 332.492 2.816 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001717449189 1419399023 /nfs/dbraw/zinc/39/90/23/1419399023.db2.gz BCCPFBDGJCURAQ-UHFFFAOYSA-N 2 2 332.492 2.989 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001717624437 1419474248 /nfs/dbraw/zinc/47/42/48/1419474248.db2.gz MMNGTDMIGMVRTO-GVDBMIGSSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001717624437 1419474251 /nfs/dbraw/zinc/47/42/51/1419474251.db2.gz MMNGTDMIGMVRTO-GVDBMIGSSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001717624437 1419474254 /nfs/dbraw/zinc/47/42/54/1419474254.db2.gz MMNGTDMIGMVRTO-GVDBMIGSSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001717624437 1419474255 /nfs/dbraw/zinc/47/42/55/1419474255.db2.gz MMNGTDMIGMVRTO-GVDBMIGSSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001717628698 1419477302 /nfs/dbraw/zinc/47/73/02/1419477302.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001717628698 1419477303 /nfs/dbraw/zinc/47/73/03/1419477303.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001717628698 1419477304 /nfs/dbraw/zinc/47/73/04/1419477304.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001717628698 1419477306 /nfs/dbraw/zinc/47/73/06/1419477306.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP 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CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001571627321 1086998926 /nfs/dbraw/zinc/99/89/26/1086998926.db2.gz RANFHFCCMORZQU-IRXDYDNUSA-N 2 2 332.492 2.614 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001571649160 1087019360 /nfs/dbraw/zinc/01/93/60/1087019360.db2.gz VDAFBYZUHJOASX-HOTGVXAUSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001571649160 1087019364 /nfs/dbraw/zinc/01/93/64/1087019364.db2.gz VDAFBYZUHJOASX-HOTGVXAUSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001571669868 1087035413 /nfs/dbraw/zinc/03/54/13/1087035413.db2.gz PXHJERVTDZFHHN-HNNXBMFYSA-N 2 2 330.476 2.525 10 30 EFEELP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001571669868 1087035418 /nfs/dbraw/zinc/03/54/18/1087035418.db2.gz PXHJERVTDZFHHN-HNNXBMFYSA-N 2 2 330.476 2.525 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001671229878 1088363544 /nfs/dbraw/zinc/36/35/44/1088363544.db2.gz AWVSHSUBMZZZKE-IRXDYDNUSA-N 2 2 344.503 2.697 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001267148432 1092914719 /nfs/dbraw/zinc/91/47/19/1092914719.db2.gz QYIZDRZRHFUDDH-MRXNPFEDSA-N 2 2 328.460 2.636 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296471 1093502506 /nfs/dbraw/zinc/50/25/06/1093502506.db2.gz OGZZUZPFSQYYNY-ZWKOTPCHSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296471 1093502511 /nfs/dbraw/zinc/50/25/11/1093502511.db2.gz OGZZUZPFSQYYNY-ZWKOTPCHSA-N 2 2 344.503 2.630 10 30 EFEELP C#CC[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001267362096 1094313139 /nfs/dbraw/zinc/31/31/39/1094313139.db2.gz OALSTRXDGDNDOH-KRWDZBQOSA-N 2 2 341.480 2.504 10 30 EFEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001268045479 1094819439 /nfs/dbraw/zinc/81/94/39/1094819439.db2.gz AOFFHXORAXDTAT-KRWDZBQOSA-N 2 2 330.476 2.725 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001481526407 1095122534 /nfs/dbraw/zinc/12/25/34/1095122534.db2.gz ZUDJPZJHHIUUGT-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001481526407 1095122543 /nfs/dbraw/zinc/12/25/43/1095122543.db2.gz ZUDJPZJHHIUUGT-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279696153 1095351907 /nfs/dbraw/zinc/35/19/07/1095351907.db2.gz SHLLKPGOMXHJKW-UHFFFAOYSA-N 2 2 339.911 2.753 10 30 EFEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279696153 1095351932 /nfs/dbraw/zinc/35/19/32/1095351932.db2.gz SHLLKPGOMXHJKW-UHFFFAOYSA-N 2 2 339.911 2.753 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001268120444 1095406318 /nfs/dbraw/zinc/40/63/18/1095406318.db2.gz VXGFXPFKAIHHIW-HKUYNNGSSA-N 2 2 344.503 2.676 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001268156033 1095563435 /nfs/dbraw/zinc/56/34/35/1095563435.db2.gz GYIWSKALOBSWRM-QGZVFWFLSA-N 2 2 332.492 2.680 10 30 EFEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267708765 1095569012 /nfs/dbraw/zinc/56/90/12/1095569012.db2.gz LSRLADYKUPQXMB-BZSNNMDCSA-N 2 2 344.503 2.701 10 30 EFEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267708765 1095569021 /nfs/dbraw/zinc/56/90/21/1095569021.db2.gz LSRLADYKUPQXMB-BZSNNMDCSA-N 2 2 344.503 2.701 10 30 EFEELP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001267713769 1095598030 /nfs/dbraw/zinc/59/80/30/1095598030.db2.gz PQZYRCVRQJPCHY-FHWLQOOXSA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001267713769 1095598042 /nfs/dbraw/zinc/59/80/42/1095598042.db2.gz PQZYRCVRQJPCHY-FHWLQOOXSA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001267713769 1095598054 /nfs/dbraw/zinc/59/80/54/1095598054.db2.gz PQZYRCVRQJPCHY-FHWLQOOXSA-N 2 2 327.472 2.541 10 30 EFEELP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001267713769 1095598066 /nfs/dbraw/zinc/59/80/66/1095598066.db2.gz PQZYRCVRQJPCHY-FHWLQOOXSA-N 2 2 327.472 2.541 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001268178722 1096028763 /nfs/dbraw/zinc/02/87/63/1096028763.db2.gz MMPCBWVUJMWMPX-SJORKVTESA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001268178718 1096029328 /nfs/dbraw/zinc/02/93/28/1096029328.db2.gz MMPCBWVUJMWMPX-IAGOWNOFSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001268187743 1096054840 /nfs/dbraw/zinc/05/48/40/1096054840.db2.gz FVEFYVBTYVZGJC-RDJZCZTQSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001268199873 1096081285 /nfs/dbraw/zinc/08/12/85/1096081285.db2.gz NKQNSENIAHAEKR-UHFFFAOYSA-N 2 2 346.519 2.879 10 30 EFEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001268199873 1096081295 /nfs/dbraw/zinc/08/12/95/1096081295.db2.gz NKQNSENIAHAEKR-UHFFFAOYSA-N 2 2 346.519 2.879 10 30 EFEELP CC#CC[N@H+](C)CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001268200975 1096092938 /nfs/dbraw/zinc/09/29/38/1096092938.db2.gz ZBEZPABEKUPNKQ-UHFFFAOYSA-N 2 2 338.455 2.532 10 30 EFEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001268200975 1096092950 /nfs/dbraw/zinc/09/29/50/1096092950.db2.gz ZBEZPABEKUPNKQ-UHFFFAOYSA-N 2 2 338.455 2.532 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001481044780 1096156238 /nfs/dbraw/zinc/15/62/38/1096156238.db2.gz CRRXUCJHEFDOFO-MSOLQXFVSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001481044780 1096156242 /nfs/dbraw/zinc/15/62/42/1096156242.db2.gz CRRXUCJHEFDOFO-MSOLQXFVSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001268271020 1096225947 /nfs/dbraw/zinc/22/59/47/1096225947.db2.gz ZQDORNXRECISCZ-DLBZAZTESA-N 2 2 332.492 2.845 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001268271020 1096225954 /nfs/dbraw/zinc/22/59/54/1096225954.db2.gz ZQDORNXRECISCZ-DLBZAZTESA-N 2 2 332.492 2.845 10 30 EFEELP CC#CC[NH2+]C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@@H]1C ZINC001481957687 1096996757 /nfs/dbraw/zinc/99/67/57/1096996757.db2.gz JGRMZGKQBRAFND-YWZLYKJASA-N 2 2 338.455 2.855 10 30 EFEELP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001269170239 1097916105 /nfs/dbraw/zinc/91/61/05/1097916105.db2.gz XOKVBDRECWFGAY-IRXDYDNUSA-N 2 2 332.492 2.719 10 30 EFEELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001269426219 1098130648 /nfs/dbraw/zinc/13/06/48/1098130648.db2.gz WLIYSUAGZHQQQU-GOSISDBHSA-N 2 2 346.434 2.713 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001269575206 1098261573 /nfs/dbraw/zinc/26/15/73/1098261573.db2.gz RQGWVMUDGYWJIA-OOKSDGMUSA-N 2 2 344.503 2.819 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001269601526 1098281771 /nfs/dbraw/zinc/28/17/71/1098281771.db2.gz JAZMLQUDXSLNAS-UAGQMJEPSA-N 2 2 330.476 2.681 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001269601526 1098281777 /nfs/dbraw/zinc/28/17/77/1098281777.db2.gz JAZMLQUDXSLNAS-UAGQMJEPSA-N 2 2 330.476 2.681 10 30 EFEELP C=CCC[NH2+]C[C@@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@@H]1C ZINC001269672654 1098346102 /nfs/dbraw/zinc/34/61/02/1098346102.db2.gz YBNSMFUPRBDRAP-LPHOPBHVSA-N 2 2 332.492 2.584 10 30 EFEELP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269732882 1098402414 /nfs/dbraw/zinc/40/24/14/1098402414.db2.gz UNCOJJYIACYVCU-HKUYNNGSSA-N 2 2 330.476 2.581 10 30 EFEELP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269732882 1098402420 /nfs/dbraw/zinc/40/24/20/1098402420.db2.gz UNCOJJYIACYVCU-HKUYNNGSSA-N 2 2 330.476 2.581 10 30 EFEELP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001482243380 1098447981 /nfs/dbraw/zinc/44/79/81/1098447981.db2.gz MFQARPBOZLJYQB-UHFFFAOYSA-N 2 2 344.503 2.944 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001270412510 1099072644 /nfs/dbraw/zinc/07/26/44/1099072644.db2.gz GCJHSMTWDFGHOH-KRWDZBQOSA-N 2 2 332.492 2.767 10 30 EFEELP CC#CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001270423321 1099081323 /nfs/dbraw/zinc/08/13/23/1099081323.db2.gz UTQQJBUMESLTQN-GOSISDBHSA-N 2 2 327.472 2.908 10 30 EFEELP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001481371028 1099504294 /nfs/dbraw/zinc/50/42/94/1099504294.db2.gz QQZDMZFZLWPJPK-AEFFLSMTSA-N 2 2 326.444 2.857 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001481371914 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QHMQOXOKOCEYNF-ROUUACIJSA-N 2 2 330.476 2.552 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001266663751 1101717248 /nfs/dbraw/zinc/71/72/48/1101717248.db2.gz QHMQOXOKOCEYNF-ROUUACIJSA-N 2 2 330.476 2.552 10 30 EFEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482490061 1101779078 /nfs/dbraw/zinc/77/90/78/1101779078.db2.gz JXUQTSLAUQZZEV-WMLDXEAASA-N 2 2 326.444 2.659 10 30 EFEELP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482490056 1101779741 /nfs/dbraw/zinc/77/97/41/1101779741.db2.gz JXUQTSLAUQZZEV-PBHICJAKSA-N 2 2 326.444 2.659 10 30 EFEELP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001266388975 1101818400 /nfs/dbraw/zinc/81/84/00/1101818400.db2.gz YCCKWELEAXMVRY-QGZVFWFLSA-N 2 2 344.503 2.725 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001656078063 1101938031 /nfs/dbraw/zinc/93/80/31/1101938031.db2.gz UAJLZMHCAUEAEG-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP 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348.288 2.986 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001662551540 1103714793 /nfs/dbraw/zinc/71/47/93/1103714793.db2.gz IIAQLLYKFYWJMG-UHFFFAOYSA-N 2 2 348.288 2.986 10 30 EFEELP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001662649582 1103744678 /nfs/dbraw/zinc/74/46/78/1103744678.db2.gz JSMZOXAAPZZNLT-ZWKOTPCHSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001483575071 1103989969 /nfs/dbraw/zinc/98/99/69/1103989969.db2.gz LHOKBYJYONWLKI-ZBFHGGJFSA-N 2 2 326.444 2.787 10 30 EFEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664672659 1104494875 /nfs/dbraw/zinc/49/48/75/1104494875.db2.gz BWBAUFMCOTZVFQ-OALUTQOASA-N 2 2 344.503 2.807 10 30 EFEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664672659 1104494878 /nfs/dbraw/zinc/49/48/78/1104494878.db2.gz BWBAUFMCOTZVFQ-OALUTQOASA-N 2 2 344.503 2.807 10 30 EFEELP 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ZINC001272078312 1104601249 /nfs/dbraw/zinc/60/12/49/1104601249.db2.gz DNWDBGOCKBSRSF-RCCFBDPRSA-N 2 2 330.476 2.579 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001665741784 1104771594 /nfs/dbraw/zinc/77/15/94/1104771594.db2.gz GBAGLBHRBGZIEJ-FUHWJXTLSA-N 2 2 332.492 2.630 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001665741784 1104771599 /nfs/dbraw/zinc/77/15/99/1104771599.db2.gz GBAGLBHRBGZIEJ-FUHWJXTLSA-N 2 2 332.492 2.630 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001666295801 1104920701 /nfs/dbraw/zinc/92/07/01/1104920701.db2.gz YXTHQZDXTNHBBU-WKILWMFISA-N 2 2 326.444 2.931 10 30 EFEELP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001667134503 1105058693 /nfs/dbraw/zinc/05/86/93/1105058693.db2.gz JSQYOSHOGSSWHX-HKUYNNGSSA-N 2 2 344.503 2.676 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001667379889 1105132830 /nfs/dbraw/zinc/13/28/30/1105132830.db2.gz DGALUALLLUESGQ-SJLPKXTDSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001667458423 1105149237 /nfs/dbraw/zinc/14/92/37/1105149237.db2.gz KVOVMZRSLKZHDP-QGZVFWFLSA-N 2 2 328.460 2.953 10 30 EFEELP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001667759462 1105198466 /nfs/dbraw/zinc/19/84/66/1105198466.db2.gz ZFNDRRQDOCYICU-AEFFLSMTSA-N 2 2 340.471 2.636 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001669962263 1105557041 /nfs/dbraw/zinc/55/70/41/1105557041.db2.gz UYKKECCOWCDCRR-JKSUJKDBSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001671892786 1105724076 /nfs/dbraw/zinc/72/40/76/1105724076.db2.gz UNQFCKOYXSCXHR-PXNSSMCTSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001671892786 1105724079 /nfs/dbraw/zinc/72/40/79/1105724079.db2.gz UNQFCKOYXSCXHR-PXNSSMCTSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001674808987 1106260911 /nfs/dbraw/zinc/26/09/11/1106260911.db2.gz RHJOZBSLICBIFA-KLHKWILBSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001674808987 1106260915 /nfs/dbraw/zinc/26/09/15/1106260915.db2.gz RHJOZBSLICBIFA-KLHKWILBSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001675899566 1106442206 /nfs/dbraw/zinc/44/22/06/1106442206.db2.gz VIWVZCXRIZMOJP-CYBMUJFWSA-N 2 2 334.851 2.883 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001676439764 1106530444 /nfs/dbraw/zinc/53/04/44/1106530444.db2.gz KJGSEERRJLATGE-MRXNPFEDSA-N 2 2 328.460 2.588 10 30 EFEELP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001676810914 1106590229 /nfs/dbraw/zinc/59/02/29/1106590229.db2.gz XGAHZAFDQTUNMI-CMKODMSKSA-N 2 2 342.487 2.607 10 30 EFEELP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001676810914 1106590233 /nfs/dbraw/zinc/59/02/33/1106590233.db2.gz XGAHZAFDQTUNMI-CMKODMSKSA-N 2 2 342.487 2.607 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001676837284 1106599176 /nfs/dbraw/zinc/59/91/76/1106599176.db2.gz GHFZGNCSCCRJDU-RCCFBDPRSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001677281393 1106690284 /nfs/dbraw/zinc/69/02/84/1106690284.db2.gz IPTVJRGODUFMEM-BFYDXBDKSA-N 2 2 332.492 2.610 10 30 EFEELP C=CC[NH2+]C1(CNC(=O)C(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001677371265 1106706785 /nfs/dbraw/zinc/70/67/85/1106706785.db2.gz FZDVFYGPDAKBJM-UHFFFAOYSA-N 2 2 343.515 2.959 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001272223888 1108021074 /nfs/dbraw/zinc/02/10/74/1108021074.db2.gz JXQIZSQJCPVDHU-SJORKVTESA-N 2 2 330.476 2.621 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001272223888 1108021085 /nfs/dbraw/zinc/02/10/85/1108021085.db2.gz JXQIZSQJCPVDHU-SJORKVTESA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001483817161 1112467480 /nfs/dbraw/zinc/46/74/80/1112467480.db2.gz YGJZLXFIHVMKNV-UHFFFAOYSA-N 2 2 330.476 2.552 10 30 EFEELP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001483817161 1112467481 /nfs/dbraw/zinc/46/74/81/1112467481.db2.gz YGJZLXFIHVMKNV-UHFFFAOYSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001483817246 1112467508 /nfs/dbraw/zinc/46/75/08/1112467508.db2.gz FBQNOQCTIVHSAV-INIZCTEOSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001483817246 1112467510 /nfs/dbraw/zinc/46/75/10/1112467510.db2.gz FBQNOQCTIVHSAV-INIZCTEOSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001483817246 1112467514 /nfs/dbraw/zinc/46/75/14/1112467514.db2.gz FBQNOQCTIVHSAV-INIZCTEOSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001483817246 1112467515 /nfs/dbraw/zinc/46/75/15/1112467515.db2.gz FBQNOQCTIVHSAV-INIZCTEOSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483929347 1112571345 /nfs/dbraw/zinc/57/13/45/1112571345.db2.gz JYWNJARZUKJZNJ-AEFFLSMTSA-N 2 2 344.503 2.697 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484161116 1112857950 /nfs/dbraw/zinc/85/79/50/1112857950.db2.gz SCUAAFVIFJDSLA-LPHOPBHVSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484161116 1112857952 /nfs/dbraw/zinc/85/79/52/1112857952.db2.gz SCUAAFVIFJDSLA-LPHOPBHVSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484161116 1112857954 /nfs/dbraw/zinc/85/79/54/1112857954.db2.gz SCUAAFVIFJDSLA-LPHOPBHVSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484161116 1112857957 /nfs/dbraw/zinc/85/79/57/1112857957.db2.gz SCUAAFVIFJDSLA-LPHOPBHVSA-N 2 2 332.492 2.915 10 30 EFEELP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001484558829 1113012482 /nfs/dbraw/zinc/01/24/82/1113012482.db2.gz LJFSFOSHYLUFAD-INIZCTEOSA-N 2 2 338.455 2.527 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484747827 1113131559 /nfs/dbraw/zinc/13/15/59/1113131559.db2.gz NUPGAENXXGYGCK-DLBZAZTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484747827 1113131560 /nfs/dbraw/zinc/13/15/60/1113131560.db2.gz NUPGAENXXGYGCK-DLBZAZTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484747829 1113131758 /nfs/dbraw/zinc/13/17/58/1113131758.db2.gz NUPGAENXXGYGCK-IAGOWNOFSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484747829 1113131760 /nfs/dbraw/zinc/13/17/60/1113131760.db2.gz NUPGAENXXGYGCK-IAGOWNOFSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484983817 1117908332 /nfs/dbraw/zinc/90/83/32/1117908332.db2.gz YKKIVRWVWJUYFU-JKSUJKDBSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484983817 1117908334 /nfs/dbraw/zinc/90/83/34/1117908334.db2.gz YKKIVRWVWJUYFU-JKSUJKDBSA-N 2 2 326.444 2.883 10 30 EFEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001485030463 1117954925 /nfs/dbraw/zinc/95/49/25/1117954925.db2.gz AYSZIBDZYHZIGL-UHFFFAOYSA-N 2 2 338.455 2.760 10 30 EFEELP C#CCC[N@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001485030463 1117954930 /nfs/dbraw/zinc/95/49/30/1117954930.db2.gz AYSZIBDZYHZIGL-UHFFFAOYSA-N 2 2 338.455 2.760 10 30 EFEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485253841 1118169730 /nfs/dbraw/zinc/16/97/30/1118169730.db2.gz ITZSYSUSRLGBDN-QGZVFWFLSA-N 2 2 332.492 2.568 10 30 EFEELP C#CCC[NH2+][C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001485434451 1118346969 /nfs/dbraw/zinc/34/69/69/1118346969.db2.gz LZFVTGPBNXMJIH-MRXNPFEDSA-N 2 2 326.444 2.663 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001485512869 1118420838 /nfs/dbraw/zinc/42/08/38/1118420838.db2.gz OTDDMVPTUXTCNC-KGLIPLIRSA-N 2 2 326.444 2.968 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001485582707 1118468486 /nfs/dbraw/zinc/46/84/86/1118468486.db2.gz STCLQNLWZNHRLH-QGZVFWFLSA-N 2 2 332.492 2.834 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001485582707 1118468488 /nfs/dbraw/zinc/46/84/88/1118468488.db2.gz STCLQNLWZNHRLH-QGZVFWFLSA-N 2 2 332.492 2.834 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001272735165 1119596269 /nfs/dbraw/zinc/59/62/69/1119596269.db2.gz UMDGIFPDFWHFAS-QAQDUYKDSA-N 2 2 344.503 2.603 10 30 EFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249868652 240302892 /nfs/dbraw/zinc/30/28/92/240302892.db2.gz IYOMAFBCHHQMNH-SJORKVTESA-N 2 2 330.476 2.629 10 30 EFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249868652 240302897 /nfs/dbraw/zinc/30/28/97/240302897.db2.gz IYOMAFBCHHQMNH-SJORKVTESA-N 2 2 330.476 2.629 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261820558 240326890 /nfs/dbraw/zinc/32/68/90/240326890.db2.gz PJFWTBXCBNBMPL-GOEBONIOSA-N 2 2 335.517 2.710 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261820558 240326893 /nfs/dbraw/zinc/32/68/93/240326893.db2.gz PJFWTBXCBNBMPL-GOEBONIOSA-N 2 2 335.517 2.710 10 30 EFEELP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261673186 240316439 /nfs/dbraw/zinc/31/64/39/240316439.db2.gz GZGBZEHXWBTSRE-HOTGVXAUSA-N 2 2 325.460 2.574 10 30 EFEELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)[C@H](C)C1 ZINC000328656406 241213777 /nfs/dbraw/zinc/21/37/77/241213777.db2.gz NUZWAPSQWXYFJW-PVAVHDDUSA-N 2 2 347.507 2.645 10 30 EFEELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)[C@H](C)C1 ZINC000328656406 241213782 /nfs/dbraw/zinc/21/37/82/241213782.db2.gz NUZWAPSQWXYFJW-PVAVHDDUSA-N 2 2 347.507 2.645 10 30 EFEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000329113614 241305854 /nfs/dbraw/zinc/30/58/54/241305854.db2.gz LLHGZSAEPNYRPH-QGZVFWFLSA-N 2 2 345.491 2.584 10 30 EFEELP Cc1ccc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c[nH+]1 ZINC000363677745 242280426 /nfs/dbraw/zinc/28/04/26/242280426.db2.gz SCIOJRVBIQQKQR-LJQANCHMSA-N 2 2 328.460 2.624 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000414345656 244097364 /nfs/dbraw/zinc/09/73/64/244097364.db2.gz SWSFUOGJAZUYPK-UYAOXDASSA-N 2 2 327.472 2.663 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000414345655 244096136 /nfs/dbraw/zinc/09/61/36/244096136.db2.gz SWSFUOGJAZUYPK-QUCCMNQESA-N 2 2 327.472 2.663 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1 ZINC000081096310 217360882 /nfs/dbraw/zinc/36/08/82/217360882.db2.gz XKSLFNKUKBHYRR-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1 ZINC000081096310 217360885 /nfs/dbraw/zinc/36/08/85/217360885.db2.gz XKSLFNKUKBHYRR-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1 ZINC000081096310 217360889 /nfs/dbraw/zinc/36/08/89/217360889.db2.gz XKSLFNKUKBHYRR-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](C)C1 ZINC000081096310 217360892 /nfs/dbraw/zinc/36/08/92/217360892.db2.gz XKSLFNKUKBHYRR-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000449390711 251008870 /nfs/dbraw/zinc/00/88/70/251008870.db2.gz WNWGKLYOXJQSEF-NYLDSWQDSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000449390711 251008873 /nfs/dbraw/zinc/00/88/73/251008873.db2.gz WNWGKLYOXJQSEF-NYLDSWQDSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449394074 251012021 /nfs/dbraw/zinc/01/20/21/251012021.db2.gz FBNMZJGURMRMCH-NYLDSWQDSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449394074 251012026 /nfs/dbraw/zinc/01/20/26/251012026.db2.gz FBNMZJGURMRMCH-NYLDSWQDSA-N 2 2 341.499 2.827 10 30 EFEELP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCC1 ZINC000450247713 251314797 /nfs/dbraw/zinc/31/47/97/251314797.db2.gz UTIGZUVEGAGMTR-DFNIBXOVSA-N 2 2 345.531 2.892 10 30 EFEELP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCC1 ZINC000450247713 251314800 /nfs/dbraw/zinc/31/48/00/251314800.db2.gz UTIGZUVEGAGMTR-DFNIBXOVSA-N 2 2 345.531 2.892 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)CCC[NH+]2C)cn1 ZINC000328630989 258029717 /nfs/dbraw/zinc/02/97/17/258029717.db2.gz KABSESFKRNKLEF-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3)CCC[NH+]2C)cn1 ZINC000328630989 258029719 /nfs/dbraw/zinc/02/97/19/258029719.db2.gz KABSESFKRNKLEF-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000328630989 258029721 /nfs/dbraw/zinc/02/97/21/258029721.db2.gz KABSESFKRNKLEF-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)cc3)CCC[N@H+]2C)cn1 ZINC000328630989 258029722 /nfs/dbraw/zinc/02/97/22/258029722.db2.gz KABSESFKRNKLEF-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261940472 533477791 /nfs/dbraw/zinc/47/77/91/533477791.db2.gz DMDLPNCVLBPZLO-KRWDZBQOSA-N 2 2 342.487 2.694 10 30 EFEELP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)CCO1 ZINC000352841686 146330797 /nfs/dbraw/zinc/33/07/97/146330797.db2.gz RYGQFYDRSPFPGS-AWEZNQCLSA-N 2 2 342.468 2.525 10 30 EFEELP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)CCO1 ZINC000352841686 146330798 /nfs/dbraw/zinc/33/07/98/146330798.db2.gz RYGQFYDRSPFPGS-AWEZNQCLSA-N 2 2 342.468 2.525 10 30 EFEELP Cc1cc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)c(C#N)c(C)[nH+]1 ZINC000301769922 267339298 /nfs/dbraw/zinc/33/92/98/267339298.db2.gz ISKGFQHKRZCOHB-UHFFFAOYSA-N 2 2 346.438 2.780 10 30 EFEELP COc1c[nH+]ccc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000361531224 274166912 /nfs/dbraw/zinc/16/69/12/274166912.db2.gz PTAOCOKYIIQNAR-UHFFFAOYSA-N 2 2 341.842 2.917 10 30 EFEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(C(F)(F)F)c1 ZINC000449393782 303191217 /nfs/dbraw/zinc/19/12/17/303191217.db2.gz DCYWABQPORUSIM-OAHLLOKOSA-N 2 2 341.377 2.513 10 30 EFEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(C(F)(F)F)c1 ZINC000449393782 303191219 /nfs/dbraw/zinc/19/12/19/303191219.db2.gz DCYWABQPORUSIM-OAHLLOKOSA-N 2 2 341.377 2.513 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000581339356 324353933 /nfs/dbraw/zinc/35/39/33/324353933.db2.gz UIXCSSWLAMOGLT-CTNGQTDRSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000581339356 324353938 /nfs/dbraw/zinc/35/39/38/324353938.db2.gz UIXCSSWLAMOGLT-CTNGQTDRSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190488339 473292247 /nfs/dbraw/zinc/29/22/47/473292247.db2.gz OEEYEIMPSOQPIO-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190488339 473292255 /nfs/dbraw/zinc/29/22/55/473292255.db2.gz OEEYEIMPSOQPIO-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000190488339 473292264 /nfs/dbraw/zinc/29/22/64/473292264.db2.gz OEEYEIMPSOQPIO-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190488339 473292270 /nfs/dbraw/zinc/29/22/70/473292270.db2.gz OEEYEIMPSOQPIO-INIZCTEOSA-N 2 2 326.469 2.969 10 30 EFEELP C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129380578 472540341 /nfs/dbraw/zinc/54/03/41/472540341.db2.gz CEQDYACCWVIBJL-HIFRSBDPSA-N 2 2 343.456 2.728 10 30 EFEELP C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129380578 472540350 /nfs/dbraw/zinc/54/03/50/472540350.db2.gz CEQDYACCWVIBJL-HIFRSBDPSA-N 2 2 343.456 2.728 10 30 EFEELP C=CCCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767878 473060361 /nfs/dbraw/zinc/06/03/61/473060361.db2.gz GRCDOLKDJYDBER-UHFFFAOYSA-N 2 2 336.524 2.544 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000122875196 473068795 /nfs/dbraw/zinc/06/87/95/473068795.db2.gz GHNTYBUSRABXPM-INIZCTEOSA-N 2 2 334.427 2.802 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000122875196 473068799 /nfs/dbraw/zinc/06/87/99/473068799.db2.gz GHNTYBUSRABXPM-INIZCTEOSA-N 2 2 334.427 2.802 10 30 EFEELP C[N@H+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123192253 473108931 /nfs/dbraw/zinc/10/89/31/473108931.db2.gz WTMLIJRVXUDPJJ-UHFFFAOYSA-N 2 2 333.439 2.818 10 30 EFEELP C[N@@H+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123192253 473108937 /nfs/dbraw/zinc/10/89/37/473108937.db2.gz WTMLIJRVXUDPJJ-UHFFFAOYSA-N 2 2 333.439 2.818 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)n2c1 ZINC000123224950 473114026 /nfs/dbraw/zinc/11/40/26/473114026.db2.gz NBCJGOSENOIQPB-UHFFFAOYSA-N 2 2 345.450 2.744 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)n2c1 ZINC000123224950 473114032 /nfs/dbraw/zinc/11/40/32/473114032.db2.gz NBCJGOSENOIQPB-UHFFFAOYSA-N 2 2 345.450 2.744 10 30 EFEELP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052890428 473159805 /nfs/dbraw/zinc/15/98/05/473159805.db2.gz CQZXEMUPBOMPFI-GOSISDBHSA-N 2 2 329.488 2.790 10 30 EFEELP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052890428 473159808 /nfs/dbraw/zinc/15/98/08/473159808.db2.gz CQZXEMUPBOMPFI-GOSISDBHSA-N 2 2 329.488 2.790 10 30 EFEELP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000066962146 473185259 /nfs/dbraw/zinc/18/52/59/473185259.db2.gz PRRBPGFPXKCAQI-UHFFFAOYSA-N 2 2 345.462 2.557 10 30 EFEELP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000066962146 473185265 /nfs/dbraw/zinc/18/52/65/473185265.db2.gz PRRBPGFPXKCAQI-UHFFFAOYSA-N 2 2 345.462 2.557 10 30 EFEELP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663548 473935008 /nfs/dbraw/zinc/93/50/08/473935008.db2.gz KPCRMHBZLYKBDM-HNAYVOBHSA-N 2 2 339.443 2.577 10 30 EFEELP C=CCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000188258780 474036632 /nfs/dbraw/zinc/03/66/32/474036632.db2.gz IHEQFBPJOCXDJI-UHFFFAOYSA-N 2 2 333.520 2.799 10 30 EFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000247168412 474078851 /nfs/dbraw/zinc/07/88/51/474078851.db2.gz VFKVJAJGXQCSRV-RHSMWYFYSA-N 2 2 337.427 2.555 10 30 EFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000247168412 474078858 /nfs/dbraw/zinc/07/88/58/474078858.db2.gz VFKVJAJGXQCSRV-RHSMWYFYSA-N 2 2 337.427 2.555 10 30 EFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000247168398 474079129 /nfs/dbraw/zinc/07/91/29/474079129.db2.gz VFKVJAJGXQCSRV-PBHICJAKSA-N 2 2 337.427 2.555 10 30 EFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000247168398 474079133 /nfs/dbraw/zinc/07/91/33/474079133.db2.gz VFKVJAJGXQCSRV-PBHICJAKSA-N 2 2 337.427 2.555 10 30 EFEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000182901336 474282230 /nfs/dbraw/zinc/28/22/30/474282230.db2.gz BWFAQZCCLREKEF-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000242273451 474558512 /nfs/dbraw/zinc/55/85/12/474558512.db2.gz YCVMLBDAGKAGSZ-NVXWUHKLSA-N 2 2 343.475 2.560 10 30 EFEELP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000242273451 474558523 /nfs/dbraw/zinc/55/85/23/474558523.db2.gz YCVMLBDAGKAGSZ-NVXWUHKLSA-N 2 2 343.475 2.560 10 30 EFEELP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913610 474624551 /nfs/dbraw/zinc/62/45/51/474624551.db2.gz WRPCBFJKEVFYRO-HOTGVXAUSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249913610 474624555 /nfs/dbraw/zinc/62/45/55/474624555.db2.gz WRPCBFJKEVFYRO-HOTGVXAUSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000329970977 475175251 /nfs/dbraw/zinc/17/52/51/475175251.db2.gz XKULNUZGTPDYIZ-QCLGFWRNSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000329970977 475175259 /nfs/dbraw/zinc/17/52/59/475175259.db2.gz XKULNUZGTPDYIZ-QCLGFWRNSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@@H]1CCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000329970977 475175265 /nfs/dbraw/zinc/17/52/65/475175265.db2.gz XKULNUZGTPDYIZ-QCLGFWRNSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@@H]1CCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000329970977 475175273 /nfs/dbraw/zinc/17/52/73/475175273.db2.gz XKULNUZGTPDYIZ-QCLGFWRNSA-N 2 2 345.491 2.695 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1F ZINC000358582060 475785783 /nfs/dbraw/zinc/78/57/83/475785783.db2.gz ZLCNWIUFLZGQAA-GOEBONIOSA-N 2 2 331.435 2.849 10 30 EFEELP C=CCOc1ccccc1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000353270843 475821529 /nfs/dbraw/zinc/82/15/29/475821529.db2.gz ZFHVOMSPWXUHDX-UHFFFAOYSA-N 2 2 339.439 2.977 10 30 EFEELP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764307 478228946 /nfs/dbraw/zinc/22/89/46/478228946.db2.gz GAGRQZOLIRVZBN-KBXCAEBGSA-N 2 2 338.411 2.624 10 30 EFEELP COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764307 478228948 /nfs/dbraw/zinc/22/89/48/478228948.db2.gz GAGRQZOLIRVZBN-KBXCAEBGSA-N 2 2 338.411 2.624 10 30 EFEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445526 478392580 /nfs/dbraw/zinc/39/25/80/478392580.db2.gz HAAZNAKPFWYXTE-UKRRQHHQSA-N 2 2 349.504 2.725 10 30 EFEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445526 478392586 /nfs/dbraw/zinc/39/25/86/478392586.db2.gz HAAZNAKPFWYXTE-UKRRQHHQSA-N 2 2 349.504 2.725 10 30 EFEELP Cc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)ccc2n1C1CC1 ZINC000594469702 478401143 /nfs/dbraw/zinc/40/11/43/478401143.db2.gz ZQWDQFSYULSXGP-INIZCTEOSA-N 2 2 339.443 2.707 10 30 EFEELP N#Cc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)ccn1 ZINC000590959409 478417588 /nfs/dbraw/zinc/41/75/88/478417588.db2.gz ZNMFOGCPSSLRHL-UHFFFAOYSA-N 2 2 329.407 2.824 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000594971613 478613175 /nfs/dbraw/zinc/61/31/75/478613175.db2.gz MYSWWWZTLBNZOO-QGZVFWFLSA-N 2 2 335.398 2.536 10 30 EFEELP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565230001 478959413 /nfs/dbraw/zinc/95/94/13/478959413.db2.gz PGUYCSYRUKXPKO-IBGZPJMESA-N 2 2 330.472 2.938 10 30 EFEELP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565230001 478959421 /nfs/dbraw/zinc/95/94/21/478959421.db2.gz PGUYCSYRUKXPKO-IBGZPJMESA-N 2 2 330.472 2.938 10 30 EFEELP CC(C)(C#N)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864925 479039179 /nfs/dbraw/zinc/03/91/79/479039179.db2.gz XHLCQQOTUFBBEZ-LJQANCHMSA-N 2 2 327.472 2.519 10 30 EFEELP CC(C)(C#N)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864925 479039205 /nfs/dbraw/zinc/03/92/05/479039205.db2.gz XHLCQQOTUFBBEZ-LJQANCHMSA-N 2 2 327.472 2.519 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000566486757 479092082 /nfs/dbraw/zinc/09/20/82/479092082.db2.gz IQHJZKOGQIUNPX-IBGZPJMESA-N 2 2 330.472 2.938 10 30 EFEELP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000566486757 479092088 /nfs/dbraw/zinc/09/20/88/479092088.db2.gz IQHJZKOGQIUNPX-IBGZPJMESA-N 2 2 330.472 2.938 10 30 EFEELP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1C#N ZINC000599276582 479231546 /nfs/dbraw/zinc/23/15/46/479231546.db2.gz AYQUGIDSQCUOAF-OALUTQOASA-N 2 2 340.515 2.857 10 30 EFEELP C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574782493 479347543 /nfs/dbraw/zinc/34/75/43/479347543.db2.gz DFJCLGNMXAYEID-MRXNPFEDSA-N 2 2 330.476 2.645 10 30 EFEELP C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574782493 479347546 /nfs/dbraw/zinc/34/75/46/479347546.db2.gz DFJCLGNMXAYEID-MRXNPFEDSA-N 2 2 330.476 2.645 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000599663086 479378621 /nfs/dbraw/zinc/37/86/21/479378621.db2.gz BPNPSCSQHILEQB-UHFFFAOYSA-N 2 2 327.472 2.678 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3(CO)CCC3)CC2)cc1 ZINC000593692788 479425627 /nfs/dbraw/zinc/42/56/27/479425627.db2.gz FABKJMPQVDACAU-UHFFFAOYSA-N 2 2 327.472 2.665 10 30 EFEELP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(C#N)cc1 ZINC000596983950 479519417 /nfs/dbraw/zinc/51/94/17/479519417.db2.gz KKAVATGXNIWJHN-UHFFFAOYSA-N 2 2 347.422 2.788 10 30 EFEELP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(C#N)cc1 ZINC000596983950 479519421 /nfs/dbraw/zinc/51/94/21/479519421.db2.gz KKAVATGXNIWJHN-UHFFFAOYSA-N 2 2 347.422 2.788 10 30 EFEELP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000596995859 479527243 /nfs/dbraw/zinc/52/72/43/479527243.db2.gz MOMDYJQVMCRLRQ-UHFFFAOYSA-N 2 2 348.450 2.968 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)c1 ZINC000597156054 479596771 /nfs/dbraw/zinc/59/67/71/479596771.db2.gz FEDVAXSBWCQOIT-PMACEKPBSA-N 2 2 325.456 2.680 10 30 EFEELP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167596 480212551 /nfs/dbraw/zinc/21/25/51/480212551.db2.gz VTMGYKBHNCLBRI-UHFFFAOYSA-N 2 2 329.488 2.766 10 30 EFEELP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167596 480212560 /nfs/dbraw/zinc/21/25/60/480212560.db2.gz VTMGYKBHNCLBRI-UHFFFAOYSA-N 2 2 329.488 2.766 10 30 EFEELP C=CC(C)(C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000624464498 480769046 /nfs/dbraw/zinc/76/90/46/480769046.db2.gz BFXAYJJTNLRUKR-JWTNVVGKSA-N 2 2 348.535 2.541 10 30 EFEELP C=CC(C)(C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000624464498 480769051 /nfs/dbraw/zinc/76/90/51/480769051.db2.gz BFXAYJJTNLRUKR-JWTNVVGKSA-N 2 2 348.535 2.541 10 30 EFEELP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693675 481908068 /nfs/dbraw/zinc/90/80/68/481908068.db2.gz ZLCDXLMYBLHEEU-RTBURBONSA-N 3 2 328.504 2.928 10 30 EFEELP C=CC[C@]1(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]1 ZINC000662730059 481951992 /nfs/dbraw/zinc/95/19/92/481951992.db2.gz ZWZZHIGTGANYGQ-HXUWFJFHSA-N 2 2 338.455 2.588 10 30 EFEELP C=CC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CCC[NH2+]1 ZINC000662791946 481970988 /nfs/dbraw/zinc/97/09/88/481970988.db2.gz UATWXXCGHVOJDN-UZLBHIALSA-N 2 2 345.462 2.729 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660709689 482104626 /nfs/dbraw/zinc/10/46/26/482104626.db2.gz AERBENZKUFZRGS-LMMKCTJWSA-N 2 2 348.535 2.589 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660709689 482104628 /nfs/dbraw/zinc/10/46/28/482104628.db2.gz AERBENZKUFZRGS-LMMKCTJWSA-N 2 2 348.535 2.589 10 30 EFEELP C=CCc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(OC)c1O ZINC000668785698 482263101 /nfs/dbraw/zinc/26/31/01/482263101.db2.gz VJQFHIYIVVFKOI-GOSISDBHSA-N 2 2 348.487 2.672 10 30 EFEELP C=CCc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(OC)c1O ZINC000668785698 482263107 /nfs/dbraw/zinc/26/31/07/482263107.db2.gz VJQFHIYIVVFKOI-GOSISDBHSA-N 2 2 348.487 2.672 10 30 EFEELP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661114728 482331646 /nfs/dbraw/zinc/33/16/46/482331646.db2.gz LARGNEHWZSYGAH-PKOBYXMFSA-N 2 2 345.487 2.648 10 30 EFEELP C=CCC(CC=C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000366100835 534565307 /nfs/dbraw/zinc/56/53/07/534565307.db2.gz AXLPVTGDISFSAQ-UHFFFAOYSA-N 2 2 333.520 2.821 10 30 EFEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000180196521 525247298 /nfs/dbraw/zinc/24/72/98/525247298.db2.gz JJIOSGQPMVQCRI-BEFAXECRSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000180196521 525247306 /nfs/dbraw/zinc/24/73/06/525247306.db2.gz JJIOSGQPMVQCRI-BEFAXECRSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196521 525247311 /nfs/dbraw/zinc/24/73/11/525247311.db2.gz JJIOSGQPMVQCRI-BEFAXECRSA-N 2 2 337.471 2.873 10 30 EFEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1C ZINC000180196521 525247317 /nfs/dbraw/zinc/24/73/17/525247317.db2.gz JJIOSGQPMVQCRI-BEFAXECRSA-N 2 2 337.471 2.873 10 30 EFEELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328720472 535077426 /nfs/dbraw/zinc/07/74/26/535077426.db2.gz QQACAXSLRUTWIS-HZPDHXFCSA-N 2 2 333.480 2.624 10 30 EFEELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328720472 535077429 /nfs/dbraw/zinc/07/74/29/535077429.db2.gz QQACAXSLRUTWIS-HZPDHXFCSA-N 2 2 333.480 2.624 10 30 EFEELP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261659970 535262250 /nfs/dbraw/zinc/26/22/50/535262250.db2.gz FVOUMQTYHIDWCZ-IRXDYDNUSA-N 2 2 339.487 2.964 10 30 EFEELP COc1ccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000262017431 536655684 /nfs/dbraw/zinc/65/56/84/536655684.db2.gz WSELNKVAIBLMQE-UHFFFAOYSA-N 2 2 333.823 2.808 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691386487 1248721486 /nfs/dbraw/zinc/72/14/86/1248721486.db2.gz VIORJQYQHHUOHY-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691386487 1248721490 /nfs/dbraw/zinc/72/14/90/1248721490.db2.gz VIORJQYQHHUOHY-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267886909 1249540204 /nfs/dbraw/zinc/54/02/04/1249540204.db2.gz XSOQUOOXUMIGHF-ZWKOTPCHSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001691302214 1248631647 /nfs/dbraw/zinc/63/16/47/1248631647.db2.gz UKVVISCQARFWJR-GDBMZVCRSA-N 2 2 338.883 2.633 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001273292552 1265526713 /nfs/dbraw/zinc/52/67/13/1265526713.db2.gz XISCQOYQPWSSLU-MAUKXSAKSA-N 2 2 345.487 2.792 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001273292551 1265527223 /nfs/dbraw/zinc/52/72/23/1265527223.db2.gz XISCQOYQPWSSLU-CRAIPNDOSA-N 2 2 345.487 2.792 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691621018 1251839699 /nfs/dbraw/zinc/83/96/99/1251839699.db2.gz RHQIEVXUUDXKOL-GVDBMIGSSA-N 2 2 330.476 2.840 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001691621018 1251839705 /nfs/dbraw/zinc/83/97/05/1251839705.db2.gz RHQIEVXUUDXKOL-GVDBMIGSSA-N 2 2 330.476 2.840 10 30 EFEELP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC001272682098 1252463077 /nfs/dbraw/zinc/46/30/77/1252463077.db2.gz HOTGWJOTDLVYBI-UHFFFAOYSA-N 2 2 340.471 2.677 10 30 EFEELP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC001272682098 1252463083 /nfs/dbraw/zinc/46/30/83/1252463083.db2.gz HOTGWJOTDLVYBI-UHFFFAOYSA-N 2 2 340.471 2.677 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001486149117 1262699356 /nfs/dbraw/zinc/69/93/56/1262699356.db2.gz VONUOTITXISGPS-JENIJYKNSA-N 2 2 330.476 2.914 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001486149117 1262699364 /nfs/dbraw/zinc/69/93/64/1262699364.db2.gz VONUOTITXISGPS-JENIJYKNSA-N 2 2 330.476 2.914 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001486153881 1262710503 /nfs/dbraw/zinc/71/05/03/1262710503.db2.gz JHQJSUCEVAIEKV-MJGOQNOKSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001486153881 1262710508 /nfs/dbraw/zinc/71/05/08/1262710508.db2.gz JHQJSUCEVAIEKV-MJGOQNOKSA-N 2 2 330.476 2.743 10 30 EFEELP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001486371237 1262969292 /nfs/dbraw/zinc/96/92/92/1262969292.db2.gz MPFSKVUBZNKIFA-QGZVFWFLSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001486371237 1262969296 /nfs/dbraw/zinc/96/92/96/1262969296.db2.gz MPFSKVUBZNKIFA-QGZVFWFLSA-N 2 2 332.492 2.581 10 30 EFEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001486400747 1263045542 /nfs/dbraw/zinc/04/55/42/1263045542.db2.gz DXMGPXWDTYPFHT-DLBZAZTESA-N 2 2 332.492 2.614 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001486405548 1263057873 /nfs/dbraw/zinc/05/78/73/1263057873.db2.gz YVGRMXNDPCNBKK-QGZVFWFLSA-N 2 2 333.476 2.719 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001486438253 1263122932 /nfs/dbraw/zinc/12/29/32/1263122932.db2.gz CMWLXYDIYGBAGW-MRXNPFEDSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001486446840 1263133420 /nfs/dbraw/zinc/13/34/20/1263133420.db2.gz CMWLXYDIYGBAGW-INIZCTEOSA-N 2 2 345.487 2.816 10 30 EFEELP C#CC[NH2+]C1(CNC(=O)CCCC)CC[NH+](Cc2ccccc2)CC1 ZINC001486451846 1263148472 /nfs/dbraw/zinc/14/84/72/1263148472.db2.gz UQCJPCWFJJMSSC-UHFFFAOYSA-N 2 2 341.499 2.550 10 30 EFEELP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691669913 1266509076 /nfs/dbraw/zinc/50/90/76/1266509076.db2.gz DFYBONRDSQYZEC-RBUKOAKNSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691669913 1266509088 /nfs/dbraw/zinc/50/90/88/1266509088.db2.gz DFYBONRDSQYZEC-RBUKOAKNSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691669913 1266509092 /nfs/dbraw/zinc/50/90/92/1266509092.db2.gz DFYBONRDSQYZEC-RBUKOAKNSA-N 2 2 329.488 2.788 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001691669913 1266509104 /nfs/dbraw/zinc/50/91/04/1266509104.db2.gz DFYBONRDSQYZEC-RBUKOAKNSA-N 2 2 329.488 2.788 10 30 EFEELP COc1cccc(/C=N/CC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1O ZINC000741845178 1269730029 /nfs/dbraw/zinc/73/00/29/1269730029.db2.gz RWUHAUJVEATTES-RCCKNPSSSA-N 2 2 345.487 2.770 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001691697091 1280390653 /nfs/dbraw/zinc/39/06/53/1280390653.db2.gz PLCBBKQMWZLPOH-KURKYZTESA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001691697091 1280390654 /nfs/dbraw/zinc/39/06/54/1280390654.db2.gz PLCBBKQMWZLPOH-KURKYZTESA-N 2 2 344.503 2.771 10 30 EFEELP CC1(C)CO[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000872105143 1287429673 /nfs/dbraw/zinc/42/96/73/1287429673.db2.gz BADYTQUBWVTVGH-IBGZPJMESA-N 2 2 327.472 2.927 10 30 EFEELP COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1C#N ZINC001136818802 1289527521 /nfs/dbraw/zinc/52/75/21/1289527521.db2.gz JKAYJWLNVJDXIB-UHFFFAOYSA-N 2 2 333.351 2.708 10 30 EFEELP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228624 1289662442 /nfs/dbraw/zinc/66/24/42/1289662442.db2.gz UVKPPOBVYQDIGX-ZIAGYGMSSA-N 2 2 344.377 2.698 10 30 EFEELP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228624 1289662447 /nfs/dbraw/zinc/66/24/47/1289662447.db2.gz UVKPPOBVYQDIGX-ZIAGYGMSSA-N 2 2 344.377 2.698 10 30 EFEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001277740902 1312819323 /nfs/dbraw/zinc/81/93/23/1312819323.db2.gz UCULVZNCAGPKAG-RHSMWYFYSA-N 2 2 326.444 2.802 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000876709491 1290986495 /nfs/dbraw/zinc/98/64/95/1290986495.db2.gz SJJXBLOESMFWAT-MFKMUULPSA-N 2 2 342.896 2.783 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000876709491 1290986499 /nfs/dbraw/zinc/98/64/99/1290986499.db2.gz SJJXBLOESMFWAT-MFKMUULPSA-N 2 2 342.896 2.783 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001277746169 1312826784 /nfs/dbraw/zinc/82/67/84/1312826784.db2.gz BBAIFMBEQYTLBP-DOTOQJQBSA-N 2 2 331.460 2.568 10 30 EFEELP C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(=C)C)CC1 ZINC001273598745 1292110054 /nfs/dbraw/zinc/11/00/54/1292110054.db2.gz HQPLWDYKWWPSGN-BGYRXZFFSA-N 2 2 343.515 2.506 10 30 EFEELP C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(=C)C)CC1 ZINC001273598745 1292110058 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JBOVWYQBYDQEEI-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001277294244 1311938131 /nfs/dbraw/zinc/93/81/31/1311938131.db2.gz JBOVWYQBYDQEEI-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001277323595 1311984291 /nfs/dbraw/zinc/98/42/91/1311984291.db2.gz CBPVAICVVVTAFU-ALOPSCKCSA-N 2 2 330.476 2.729 10 30 EFEELP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902790393 1312110321 /nfs/dbraw/zinc/11/03/21/1312110321.db2.gz QFOFBRDKFJLDIJ-DYESRHJHSA-N 2 2 349.482 2.593 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001277525557 1312512188 /nfs/dbraw/zinc/51/21/88/1312512188.db2.gz SBMMVAMCQMHWNO-MJGOQNOKSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001277525557 1312512190 /nfs/dbraw/zinc/51/21/90/1312512190.db2.gz SBMMVAMCQMHWNO-MJGOQNOKSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668050 1315453743 /nfs/dbraw/zinc/45/37/43/1315453743.db2.gz KEPIYCNLVKAJLO-PXNSSMCTSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668050 1315453747 /nfs/dbraw/zinc/45/37/47/1315453747.db2.gz KEPIYCNLVKAJLO-PXNSSMCTSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278669004 1315456897 /nfs/dbraw/zinc/45/68/97/1315456897.db2.gz RWUROIQEBGIMFE-XLIONFOSSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278669004 1315456901 /nfs/dbraw/zinc/45/69/01/1315456901.db2.gz RWUROIQEBGIMFE-XLIONFOSSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001279104876 1316266823 /nfs/dbraw/zinc/26/68/23/1316266823.db2.gz PNTCQEXCPFUDHZ-HZPDHXFCSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001279104876 1316266825 /nfs/dbraw/zinc/26/68/25/1316266825.db2.gz PNTCQEXCPFUDHZ-HZPDHXFCSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001318559779 1328639202 /nfs/dbraw/zinc/63/92/02/1328639202.db2.gz YGPDSQDSZHCEFU-QGZVFWFLSA-N 2 2 326.444 2.937 10 30 EFEELP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001490905902 1316378683 /nfs/dbraw/zinc/37/86/83/1316378683.db2.gz YPHZDUCMZUTIFM-BRWVUGGUSA-N 2 2 332.492 2.653 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001264587000 1316636851 /nfs/dbraw/zinc/63/68/51/1316636851.db2.gz WSVCVYBRLJCQCU-NXHRZFHOSA-N 2 2 330.476 2.524 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001264587000 1316636853 /nfs/dbraw/zinc/63/68/53/1316636853.db2.gz WSVCVYBRLJCQCU-NXHRZFHOSA-N 2 2 330.476 2.524 10 30 EFEELP 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C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265390273 1316795098 /nfs/dbraw/zinc/79/50/98/1316795098.db2.gz AXLDPWFVFHARJB-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390257 1316795231 /nfs/dbraw/zinc/79/52/31/1316795231.db2.gz APYNKLXJVVDRSB-OAHLLOKOSA-N 2 2 326.444 2.923 10 30 EFEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390257 1316795233 /nfs/dbraw/zinc/79/52/33/1316795233.db2.gz APYNKLXJVVDRSB-OAHLLOKOSA-N 2 2 326.444 2.923 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265393421 1316797543 /nfs/dbraw/zinc/79/75/43/1316797543.db2.gz YCXYNRPPHGKCRN-ROUUACIJSA-N 2 2 332.492 2.798 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265393421 1316797545 /nfs/dbraw/zinc/79/75/45/1316797545.db2.gz YCXYNRPPHGKCRN-ROUUACIJSA-N 2 2 332.492 2.798 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 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GJHYRPUGHUIQAE-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001284928081 1320601008 /nfs/dbraw/zinc/60/10/08/1320601008.db2.gz LOTQTRWMTDYXBU-UHFFFAOYSA-N 2 2 330.476 2.641 10 30 EFEELP C=CCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001284928081 1320601013 /nfs/dbraw/zinc/60/10/13/1320601013.db2.gz LOTQTRWMTDYXBU-UHFFFAOYSA-N 2 2 330.476 2.641 10 30 EFEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001319657597 1328940914 /nfs/dbraw/zinc/94/09/14/1328940914.db2.gz SKTNGQFAQZOCDQ-IEBWSBKVSA-N 2 2 344.503 2.676 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001319768487 1328983132 /nfs/dbraw/zinc/98/31/32/1328983132.db2.gz VPEJKDIXOUWOOK-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001491811412 1323959996 /nfs/dbraw/zinc/95/99/96/1323959996.db2.gz WHEVNHODVTVTMQ-HZPDHXFCSA-N 2 2 338.883 2.661 10 30 EFEELP 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WQUNVMOWGSHKFC-QGZVFWFLSA-N 2 2 346.519 2.923 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001316978400 1325440755 /nfs/dbraw/zinc/44/07/55/1325440755.db2.gz WQUNVMOWGSHKFC-QGZVFWFLSA-N 2 2 346.519 2.923 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001317103916 1325572151 /nfs/dbraw/zinc/57/21/51/1325572151.db2.gz HNRKQUTWXAFSNS-QZTJIDSGSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001317103916 1325572157 /nfs/dbraw/zinc/57/21/57/1325572157.db2.gz HNRKQUTWXAFSNS-QZTJIDSGSA-N 2 2 344.503 2.632 10 30 EFEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001317688481 1328294869 /nfs/dbraw/zinc/29/48/69/1328294869.db2.gz XRMHAARTNBMKCI-HKUYNNGSSA-N 2 2 344.503 2.710 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317789307 1328380406 /nfs/dbraw/zinc/38/04/06/1328380406.db2.gz NZGGDZDNVHTTFZ-HNNXBMFYSA-N 2 2 326.444 2.971 10 30 EFEELP 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VXUSHGZIGWUGSY-MSOLQXFVSA-N 2 2 336.439 2.526 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC001507359752 1406949866 /nfs/dbraw/zinc/94/98/66/1406949866.db2.gz VWWCYWIWNWEIBC-ABSDTBQOSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC001507359752 1406949867 /nfs/dbraw/zinc/94/98/67/1406949867.db2.gz VWWCYWIWNWEIBC-ABSDTBQOSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001493954441 1399005179 /nfs/dbraw/zinc/00/51/79/1399005179.db2.gz CCMXUWIVTUMJOM-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001493954441 1399005184 /nfs/dbraw/zinc/00/51/84/1399005184.db2.gz CCMXUWIVTUMJOM-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001507397529 1407009318 /nfs/dbraw/zinc/00/93/18/1407009318.db2.gz DCBRPIILUOXTDF-WBVHZDCISA-N 2 2 326.444 2.707 10 30 EFEELP C=CCCC[NH2+]C[C@@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001495262630 1399776338 /nfs/dbraw/zinc/77/63/38/1399776338.db2.gz PDSSMQYPRRJONN-LJQANCHMSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001495438248 1399980442 /nfs/dbraw/zinc/98/04/42/1399980442.db2.gz SMLPTNIESRVTCF-UHFFFAOYSA-N 2 2 338.883 2.634 10 30 EFEELP C=CCC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001495521482 1400051640 /nfs/dbraw/zinc/05/16/40/1400051640.db2.gz WBPXAWUXGNANBJ-UHFFFAOYSA-N 2 2 332.492 2.721 10 30 EFEELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC#Cc1ccccc1 ZINC001495692322 1400170517 /nfs/dbraw/zinc/17/05/17/1400170517.db2.gz ULGJEMDJHTUJGP-MRXNPFEDSA-N 2 2 346.434 2.570 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001496312815 1400628795 /nfs/dbraw/zinc/62/87/95/1400628795.db2.gz UGYXHTWCIYWPKH-MSOLQXFVSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001497940019 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C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001692361499 1417280583 /nfs/dbraw/zinc/28/05/83/1417280583.db2.gz PBVYBKDOVRCZAI-WBVHZDCISA-N 2 2 326.444 2.802 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001692361499 1417280584 /nfs/dbraw/zinc/28/05/84/1417280584.db2.gz PBVYBKDOVRCZAI-WBVHZDCISA-N 2 2 326.444 2.802 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698765661 1417329180 /nfs/dbraw/zinc/32/91/80/1417329180.db2.gz RUCORMKQSQVLEU-MRXNPFEDSA-N 2 2 326.444 2.794 10 30 EFEELP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699678761 1417448473 /nfs/dbraw/zinc/44/84/73/1417448473.db2.gz KZRYXUWNHBRKOU-PYWTVGQWSA-N 2 2 342.487 2.981 10 30 EFEELP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699678761 1417448475 /nfs/dbraw/zinc/44/84/75/1417448475.db2.gz KZRYXUWNHBRKOU-PYWTVGQWSA-N 2 2 342.487 2.981 10 30 EFEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001699786350 1417469353 /nfs/dbraw/zinc/46/93/53/1417469353.db2.gz UUOPURNIWIKYAY-DLBZAZTESA-N 2 2 344.503 2.561 10 30 EFEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001699786350 1417469355 /nfs/dbraw/zinc/46/93/55/1417469355.db2.gz UUOPURNIWIKYAY-DLBZAZTESA-N 2 2 344.503 2.561 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001699991552 1417539262 /nfs/dbraw/zinc/53/92/62/1417539262.db2.gz PIQIHADNVFTITA-XDNAFOTISA-N 2 2 330.476 2.579 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001699991552 1417539265 /nfs/dbraw/zinc/53/92/65/1417539265.db2.gz PIQIHADNVFTITA-XDNAFOTISA-N 2 2 330.476 2.579 10 30 EFEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001700101304 1417570680 /nfs/dbraw/zinc/57/06/80/1417570680.db2.gz ZCYIIGOVNRKXFG-IYARVYRRSA-N 2 2 327.472 2.908 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001700872731 1417669166 /nfs/dbraw/zinc/66/91/66/1417669166.db2.gz IEMMBRFOUDHIDG-YESZJQIVSA-N 2 2 344.503 2.870 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC001700946758 1417691942 /nfs/dbraw/zinc/69/19/42/1417691942.db2.gz LXYOZTIRPMCOKG-DOTOQJQBSA-N 2 2 332.492 2.534 10 30 EFEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001713681708 1418567060 /nfs/dbraw/zinc/56/70/60/1418567060.db2.gz LNDXLVBDCHCVED-CVEARBPZSA-N 2 2 332.492 2.771 10 30 EFEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001713681708 1418567063 /nfs/dbraw/zinc/56/70/63/1418567063.db2.gz LNDXLVBDCHCVED-CVEARBPZSA-N 2 2 332.492 2.771 10 30 EFEELP C=CC[NH2+]Cc1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001714319372 1418599737 /nfs/dbraw/zinc/59/97/37/1418599737.db2.gz CKHSSNBANKJUFM-UHFFFAOYSA-N 2 2 334.423 2.848 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001714643345 1418611405 /nfs/dbraw/zinc/61/14/05/1418611405.db2.gz IFPWGJYCPPZDJG-QGZVFWFLSA-N 2 2 340.471 2.590 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001714643345 1418611409 /nfs/dbraw/zinc/61/14/09/1418611409.db2.gz IFPWGJYCPPZDJG-QGZVFWFLSA-N 2 2 340.471 2.590 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001714972750 1418643817 /nfs/dbraw/zinc/64/38/17/1418643817.db2.gz WLCBMBULJKSDRR-MRXNPFEDSA-N 2 2 338.455 2.889 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001715175777 1418655945 /nfs/dbraw/zinc/65/59/45/1418655945.db2.gz JVPJDERLXKWJSW-MRXNPFEDSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(Cl)C[NH2+]CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716232174 1418730823 /nfs/dbraw/zinc/73/08/23/1418730823.db2.gz SXWCJMBDPXWXBK-UHFFFAOYSA-N 2 2 332.835 2.677 10 30 EFEELP C=CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCCC1 ZINC001716713237 1418968801 /nfs/dbraw/zinc/96/88/01/1418968801.db2.gz FIEVIMXVOXPZKT-QGZVFWFLSA-N 2 2 344.503 2.773 10 30 EFEELP C=CC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCCC1 ZINC001716713237 1418968805 /nfs/dbraw/zinc/96/88/05/1418968805.db2.gz FIEVIMXVOXPZKT-QGZVFWFLSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CCCCCC1 ZINC001716713645 1418969846 /nfs/dbraw/zinc/96/98/46/1418969846.db2.gz MMNMXCNUYBHDOO-UHFFFAOYSA-N 2 2 332.492 2.990 10 30 EFEELP C=C(C)C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CCCCCC1 ZINC001716713645 1418969848 /nfs/dbraw/zinc/96/98/48/1418969848.db2.gz MMNMXCNUYBHDOO-UHFFFAOYSA-N 2 2 332.492 2.990 10 30 EFEELP C=CCCCCC[NH+]1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001716741506 1418986634 /nfs/dbraw/zinc/98/66/34/1418986634.db2.gz BRLYFLDLHMKBOJ-UHFFFAOYSA-N 2 2 344.503 2.651 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001716795701 1419013535 /nfs/dbraw/zinc/01/35/35/1419013535.db2.gz AJMKKAKXYQSGFN-DLBZAZTESA-N 2 2 344.503 2.771 10 30 EFEELP 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ZINC001717113369 1419217827 /nfs/dbraw/zinc/21/78/27/1419217827.db2.gz KQZVTYFKIWHCSH-QGZVFWFLSA-N 2 2 338.455 2.606 10 30 EFEELP CCCCCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001717128759 1419227827 /nfs/dbraw/zinc/22/78/27/1419227827.db2.gz LWMNZAJYXLNASF-UHFFFAOYSA-N 2 2 332.492 2.847 10 30 EFEELP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001717246476 1419289354 /nfs/dbraw/zinc/28/93/54/1419289354.db2.gz NCUUCWUSPMLJNK-ICSRJNTNSA-N 2 2 344.503 2.971 10 30 EFEELP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001717246476 1419289356 /nfs/dbraw/zinc/28/93/56/1419289356.db2.gz NCUUCWUSPMLJNK-ICSRJNTNSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247025 1419290285 /nfs/dbraw/zinc/29/02/85/1419290285.db2.gz AWAAHZARQJLVOS-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247025 1419290288 /nfs/dbraw/zinc/29/02/88/1419290288.db2.gz AWAAHZARQJLVOS-QFBILLFUSA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001717356214 1419350928 /nfs/dbraw/zinc/35/09/28/1419350928.db2.gz QCBSJNNGMKXCDN-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001717356214 1419350931 /nfs/dbraw/zinc/35/09/31/1419350931.db2.gz QCBSJNNGMKXCDN-SFHVURJKSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001717524584 1419427108 /nfs/dbraw/zinc/42/71/08/1419427108.db2.gz IXUHVEXADCKQGP-QGZVFWFLSA-N 2 2 344.503 2.820 10 30 EFEELP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001717542441 1419436629 /nfs/dbraw/zinc/43/66/29/1419436629.db2.gz DOYYSAPJCGXETB-PMACEKPBSA-N 2 2 341.499 2.673 10 30 EFEELP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001717542441 1419436630 /nfs/dbraw/zinc/43/66/30/1419436630.db2.gz DOYYSAPJCGXETB-PMACEKPBSA-N 2 2 341.499 2.673 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001717875922 1419597648 /nfs/dbraw/zinc/59/76/48/1419597648.db2.gz WPYDYNRQAAEVOF-SJORKVTESA-N 2 2 332.492 2.767 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001717978609 1419638896 /nfs/dbraw/zinc/63/88/96/1419638896.db2.gz BOLXDXKJUMKMDE-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001723437147 1424495840 /nfs/dbraw/zinc/49/58/40/1424495840.db2.gz DEQRKMZVHBGDAR-SJORKVTESA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001723437147 1424495842 /nfs/dbraw/zinc/49/58/42/1424495842.db2.gz DEQRKMZVHBGDAR-SJORKVTESA-N 2 2 332.492 2.606 10 30 EFEELP C=C(C)C[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001723641071 1424544421 /nfs/dbraw/zinc/54/44/21/1424544421.db2.gz XGRWPEYIEXGMES-UHFFFAOYSA-N 2 2 332.492 2.978 10 30 EFEELP C=C(C)C[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 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ZINC001673655889 1106069903 /nfs/dbraw/zinc/06/99/03/1106069903.db2.gz XTOIIEWGTGARNR-HKUYNNGSSA-N 2 2 330.476 2.552 10 30 EFEELP C=C(C)CC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001673966669 1106111247 /nfs/dbraw/zinc/11/12/47/1106111247.db2.gz OMIAIQOUTDAVTA-UHFFFAOYSA-N 2 2 326.444 2.885 10 30 EFEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001674342564 1106173735 /nfs/dbraw/zinc/17/37/35/1106173735.db2.gz ADPRSFOLFPCFPY-UHFFFAOYSA-N 2 2 332.492 2.869 10 30 EFEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001674342564 1106173739 /nfs/dbraw/zinc/17/37/39/1106173739.db2.gz ADPRSFOLFPCFPY-UHFFFAOYSA-N 2 2 332.492 2.869 10 30 EFEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001674342564 1106173743 /nfs/dbraw/zinc/17/37/43/1106173743.db2.gz ADPRSFOLFPCFPY-UHFFFAOYSA-N 2 2 332.492 2.869 10 30 EFEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001674342564 1106173745 /nfs/dbraw/zinc/17/37/45/1106173745.db2.gz ADPRSFOLFPCFPY-UHFFFAOYSA-N 2 2 332.492 2.869 10 30 EFEELP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001675222591 1106318606 /nfs/dbraw/zinc/31/86/06/1106318606.db2.gz OIORQCDPTGLSIV-KRWDZBQOSA-N 2 2 326.444 2.544 10 30 EFEELP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001675480618 1106369595 /nfs/dbraw/zinc/36/95/95/1106369595.db2.gz QTOOPSNEKCMMMB-RTBURBONSA-N 2 2 341.499 2.529 10 30 EFEELP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001675480618 1106369598 /nfs/dbraw/zinc/36/95/98/1106369598.db2.gz QTOOPSNEKCMMMB-RTBURBONSA-N 2 2 341.499 2.529 10 30 EFEELP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001675480618 1106369600 /nfs/dbraw/zinc/36/96/00/1106369600.db2.gz QTOOPSNEKCMMMB-RTBURBONSA-N 2 2 341.499 2.529 10 30 EFEELP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001675480618 1106369603 /nfs/dbraw/zinc/36/96/03/1106369603.db2.gz QTOOPSNEKCMMMB-RTBURBONSA-N 2 2 341.499 2.529 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001675643607 1106403763 /nfs/dbraw/zinc/40/37/63/1106403763.db2.gz UMPXLOXSDPEUME-KSZLIROESA-N 2 2 344.503 2.915 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001675643607 1106403766 /nfs/dbraw/zinc/40/37/66/1106403766.db2.gz UMPXLOXSDPEUME-KSZLIROESA-N 2 2 344.503 2.915 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001675678367 1106409592 /nfs/dbraw/zinc/40/95/92/1106409592.db2.gz QEJMEMMMXHVBPR-MRXNPFEDSA-N 2 2 344.503 2.966 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001675678367 1106409596 /nfs/dbraw/zinc/40/95/96/1106409596.db2.gz QEJMEMMMXHVBPR-MRXNPFEDSA-N 2 2 344.503 2.966 10 30 EFEELP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001676368423 1106520786 /nfs/dbraw/zinc/52/07/86/1106520786.db2.gz FMEMPLXFKWYFFN-MRXNPFEDSA-N 2 2 346.434 2.665 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001676439763 1106530202 /nfs/dbraw/zinc/53/02/02/1106530202.db2.gz KJGSEERRJLATGE-INIZCTEOSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC001677014294 1106649023 /nfs/dbraw/zinc/64/90/23/1106649023.db2.gz ZPWARRWOPSYOFX-GOSISDBHSA-N 2 2 338.455 2.889 10 30 EFEELP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC001677014295 1106649263 /nfs/dbraw/zinc/64/92/63/1106649263.db2.gz ZPWARRWOPSYOFX-SFHVURJKSA-N 2 2 338.455 2.889 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001677263540 1106686766 /nfs/dbraw/zinc/68/67/66/1106686766.db2.gz UDJBOVWWGOOYDS-WBVHZDCISA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001677648093 1106811374 /nfs/dbraw/zinc/81/13/74/1106811374.db2.gz CFPWZNHPKCGEMU-AWEZNQCLSA-N 2 2 344.434 2.710 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(F)c1 ZINC001677648093 1106811393 /nfs/dbraw/zinc/81/13/93/1106811393.db2.gz CFPWZNHPKCGEMU-AWEZNQCLSA-N 2 2 344.434 2.710 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001272292955 1107643576 /nfs/dbraw/zinc/64/35/76/1107643576.db2.gz YSFCEKGLGYRPTC-PKOBYXMFSA-N 2 2 338.455 2.937 10 30 EFEELP CC[NH+]=C(NCCCSC)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000097013624 1108816508 /nfs/dbraw/zinc/81/65/08/1108816508.db2.gz JWEAVKAACOOUKP-UHFFFAOYSA-N 2 2 349.548 2.667 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001483777734 1112426217 /nfs/dbraw/zinc/42/62/17/1112426217.db2.gz PBIGDYVCPUNCPK-INIZCTEOSA-N 2 2 340.471 2.778 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001483829661 1112490274 /nfs/dbraw/zinc/49/02/74/1112490274.db2.gz GORBUNGEUPBQAT-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001483829661 1112490277 /nfs/dbraw/zinc/49/02/77/1112490277.db2.gz GORBUNGEUPBQAT-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001483829661 1112490279 /nfs/dbraw/zinc/49/02/79/1112490279.db2.gz GORBUNGEUPBQAT-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001483829661 1112490284 /nfs/dbraw/zinc/49/02/84/1112490284.db2.gz GORBUNGEUPBQAT-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001483832704 1112493836 /nfs/dbraw/zinc/49/38/36/1112493836.db2.gz MYFSYGYMCNQHTE-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001483832704 1112493837 /nfs/dbraw/zinc/49/38/37/1112493837.db2.gz MYFSYGYMCNQHTE-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483846013 1112505321 /nfs/dbraw/zinc/50/53/21/1112505321.db2.gz DIRDCWSGHSUQPX-UZLBHIALSA-N 2 2 344.503 2.966 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483846013 1112505323 /nfs/dbraw/zinc/50/53/23/1112505323.db2.gz DIRDCWSGHSUQPX-UZLBHIALSA-N 2 2 344.503 2.966 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483846011 1112505664 /nfs/dbraw/zinc/50/56/64/1112505664.db2.gz DIRDCWSGHSUQPX-OXJNMPFZSA-N 2 2 344.503 2.966 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483846011 1112505667 /nfs/dbraw/zinc/50/56/67/1112505667.db2.gz DIRDCWSGHSUQPX-OXJNMPFZSA-N 2 2 344.503 2.966 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001484009089 1112657754 /nfs/dbraw/zinc/65/77/54/1112657754.db2.gz JRNUUMNYVCOYNV-KZNAEPCWSA-N 2 2 344.503 2.754 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484557954 1113011090 /nfs/dbraw/zinc/01/10/90/1113011090.db2.gz XAPMVHLLXRTGSY-MRXNPFEDSA-N 2 2 340.471 2.913 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484557954 1113011094 /nfs/dbraw/zinc/01/10/94/1113011094.db2.gz XAPMVHLLXRTGSY-MRXNPFEDSA-N 2 2 340.471 2.913 10 30 EFEELP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484557954 1113011098 /nfs/dbraw/zinc/01/10/98/1113011098.db2.gz XAPMVHLLXRTGSY-MRXNPFEDSA-N 2 2 340.471 2.913 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484557954 1113011101 /nfs/dbraw/zinc/01/11/01/1113011101.db2.gz XAPMVHLLXRTGSY-MRXNPFEDSA-N 2 2 340.471 2.913 10 30 EFEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001484567824 1113022651 /nfs/dbraw/zinc/02/26/51/1113022651.db2.gz WZVUUTWWHMTDFY-JCNLHEQBSA-N 2 2 326.444 2.707 10 30 EFEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001484570067 1113028783 /nfs/dbraw/zinc/02/87/83/1113028783.db2.gz NMRBVDHHXMLFBP-SAABIXHNSA-N 2 2 338.455 2.937 10 30 EFEELP C=CCCC[NH+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001484579747 1113033293 /nfs/dbraw/zinc/03/32/93/1113033293.db2.gz IVQAPVZUUXWCNB-UHFFFAOYSA-N 2 2 338.455 2.839 10 30 EFEELP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001485081278 1118031381 /nfs/dbraw/zinc/03/13/81/1118031381.db2.gz AYEVCGOZZORWMF-OALUTQOASA-N 2 2 344.503 2.800 10 30 EFEELP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001485081278 1118031387 /nfs/dbraw/zinc/03/13/87/1118031387.db2.gz AYEVCGOZZORWMF-OALUTQOASA-N 2 2 344.503 2.800 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485176944 1118111979 /nfs/dbraw/zinc/11/19/79/1118111979.db2.gz MRDBEZWVRQOFGG-UONOGXRCSA-N 2 2 332.835 2.721 10 30 EFEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485257683 1118189074 /nfs/dbraw/zinc/18/90/74/1118189074.db2.gz RGKXHHOHVCAQEH-UHFFFAOYSA-N 2 2 326.444 2.746 10 30 EFEELP C=CCCC[N@@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001485759787 1118564586 /nfs/dbraw/zinc/56/45/86/1118564586.db2.gz HFKPLMQTZSUHPB-UHFFFAOYSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCCC[N@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001485759787 1118564588 /nfs/dbraw/zinc/56/45/88/1118564588.db2.gz HFKPLMQTZSUHPB-UHFFFAOYSA-N 2 2 326.444 2.837 10 30 EFEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC[C@]1(C)CCCS1 ZINC000262015117 240338807 /nfs/dbraw/zinc/33/88/07/240338807.db2.gz XNOUZCNFNTYQEO-KRWDZBQOSA-N 2 2 335.521 2.560 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364631489 242302267 /nfs/dbraw/zinc/30/22/67/242302267.db2.gz PCVHKJSHCHMKMO-HNNXBMFYSA-N 2 2 344.503 2.795 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364631489 242302273 /nfs/dbraw/zinc/30/22/73/242302273.db2.gz PCVHKJSHCHMKMO-HNNXBMFYSA-N 2 2 344.503 2.795 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000449397502 251012518 /nfs/dbraw/zinc/01/25/18/251012518.db2.gz VLFBVCVSYBIRGA-KBWCOIMZSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449397502 251012522 /nfs/dbraw/zinc/01/25/22/251012522.db2.gz VLFBVCVSYBIRGA-KBWCOIMZSA-N 2 2 341.499 2.827 10 30 EFEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000181934912 533050350 /nfs/dbraw/zinc/05/03/50/533050350.db2.gz RACIWNATBZPIPY-RHSMWYFYSA-N 2 2 336.443 2.710 10 30 EFEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000118397885 221146228 /nfs/dbraw/zinc/14/62/28/221146228.db2.gz YGNCKWYFYHINFY-RHSMWYFYSA-N 2 2 336.443 2.710 10 30 EFEELP COCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352838952 146329246 /nfs/dbraw/zinc/32/92/46/146329246.db2.gz HJTGLOFGNUIGTE-UHFFFAOYSA-N 2 2 341.377 2.777 10 30 EFEELP N#Cc1csc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000352852902 146332377 /nfs/dbraw/zinc/33/23/77/146332377.db2.gz LRPDKTPRCRBKDV-UHFFFAOYSA-N 2 2 342.468 2.779 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453263230 270028708 /nfs/dbraw/zinc/02/87/08/270028708.db2.gz LIIQKWIOMSJCDJ-QUCCMNQESA-N 2 2 327.472 2.762 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453263230 270028710 /nfs/dbraw/zinc/02/87/10/270028710.db2.gz LIIQKWIOMSJCDJ-QUCCMNQESA-N 2 2 327.472 2.762 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470131 270037137 /nfs/dbraw/zinc/03/71/37/270037137.db2.gz OUPJGFXJQKMJAQ-KDOFPFPSSA-N 2 2 329.444 2.507 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470131 270037138 /nfs/dbraw/zinc/03/71/38/270037138.db2.gz OUPJGFXJQKMJAQ-KDOFPFPSSA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470131 270037140 /nfs/dbraw/zinc/03/71/40/270037140.db2.gz OUPJGFXJQKMJAQ-KDOFPFPSSA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000534470131 270037141 /nfs/dbraw/zinc/03/71/41/270037141.db2.gz OUPJGFXJQKMJAQ-KDOFPFPSSA-N 2 2 329.444 2.507 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252409 268223949 /nfs/dbraw/zinc/22/39/49/268223949.db2.gz GZIMXDRDZSOSBH-YJBOKZPZSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252409 268223950 /nfs/dbraw/zinc/22/39/50/268223950.db2.gz GZIMXDRDZSOSBH-YJBOKZPZSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252409 268223952 /nfs/dbraw/zinc/22/39/52/268223952.db2.gz GZIMXDRDZSOSBH-YJBOKZPZSA-N 2 2 340.427 2.915 10 30 EFEELP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000521252409 268223954 /nfs/dbraw/zinc/22/39/54/268223954.db2.gz GZIMXDRDZSOSBH-YJBOKZPZSA-N 2 2 340.427 2.915 10 30 EFEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCS[C@H](C(C)C)C1 ZINC000261659090 280843234 /nfs/dbraw/zinc/84/32/34/280843234.db2.gz ATWODBHPMAXHIB-INIZCTEOSA-N 2 2 349.548 2.758 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000581339358 324353992 /nfs/dbraw/zinc/35/39/92/324353992.db2.gz UIXCSSWLAMOGLT-PZJWPPBQSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000581339358 324353996 /nfs/dbraw/zinc/35/39/96/324353996.db2.gz UIXCSSWLAMOGLT-PZJWPPBQSA-N 2 2 348.450 2.922 10 30 EFEELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000097034496 472416194 /nfs/dbraw/zinc/41/61/94/472416194.db2.gz DKAPEEOCSYKIDC-HXUWFJFHSA-N 2 2 349.482 2.632 10 30 EFEELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000097034496 472416198 /nfs/dbraw/zinc/41/61/98/472416198.db2.gz DKAPEEOCSYKIDC-HXUWFJFHSA-N 3 2 349.482 2.632 10 30 EFEELP C=CCC(CC=C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154345909 472420321 /nfs/dbraw/zinc/42/03/21/472420321.db2.gz RBSUKSVVVAHSIH-DFNIBXOVSA-N 2 2 331.504 2.524 10 30 EFEELP C=CCC(CC=C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154345909 472420329 /nfs/dbraw/zinc/42/03/29/472420329.db2.gz RBSUKSVVVAHSIH-DFNIBXOVSA-N 2 2 331.504 2.524 10 30 EFEELP C=CCN1C(=O)C2(CCCCC2)[NH2+]C12CCN(c1cccc[nH+]1)CC2 ZINC000078784524 472768346 /nfs/dbraw/zinc/76/83/46/472768346.db2.gz GFSARTJUJSILFV-UHFFFAOYSA-N 2 2 340.471 2.699 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)n2c1 ZINC000123778897 473185472 /nfs/dbraw/zinc/18/54/72/473185472.db2.gz SFDOUWXVCHONGU-IBGZPJMESA-N 2 2 345.450 2.960 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)n2c1 ZINC000123778897 473185475 /nfs/dbraw/zinc/18/54/75/473185475.db2.gz SFDOUWXVCHONGU-IBGZPJMESA-N 2 2 345.450 2.960 10 30 EFEELP C=C(C)COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1OC ZINC000195422256 474073167 /nfs/dbraw/zinc/07/31/67/474073167.db2.gz AZJKTFRDAWTYNQ-SFHVURJKSA-N 2 2 348.487 2.587 10 30 EFEELP N#CCCN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265506145 474238033 /nfs/dbraw/zinc/23/80/33/474238033.db2.gz QEPHILRYYXYKBN-UHFFFAOYSA-N 2 2 337.427 2.536 10 30 EFEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000248717457 474413898 /nfs/dbraw/zinc/41/38/98/474413898.db2.gz BYOWMUZSHWEYRN-OXJNMPFZSA-N 2 2 345.450 2.816 10 30 EFEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000248717457 474413904 /nfs/dbraw/zinc/41/39/04/474413904.db2.gz BYOWMUZSHWEYRN-OXJNMPFZSA-N 2 2 345.450 2.816 10 30 EFEELP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266775683 474478590 /nfs/dbraw/zinc/47/85/90/474478590.db2.gz TWDAMBWXVPZYOA-UHFFFAOYSA-N 2 2 343.818 2.753 10 30 EFEELP CC(C)([NH2+]CC#CC[NH2+]C(C)(C)c1nccs1)c1nccs1 ZINC000276364465 474511737 /nfs/dbraw/zinc/51/17/37/474511737.db2.gz ZMULFBRXEQDTFU-UHFFFAOYSA-N 2 2 334.514 2.953 10 30 EFEELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(C)(C#N)CC3)c2cc1C ZINC000272560256 474617233 /nfs/dbraw/zinc/61/72/33/474617233.db2.gz LROLPWPBZGJUNV-INIZCTEOSA-N 2 2 326.444 2.640 10 30 EFEELP C[N@@H+]1CC[C@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207074 474904538 /nfs/dbraw/zinc/90/45/38/474904538.db2.gz SXAGANPOHFYBEE-KRWDZBQOSA-N 2 2 338.373 2.964 10 30 EFEELP C[N@H+]1CC[C@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207074 474904544 /nfs/dbraw/zinc/90/45/44/474904544.db2.gz SXAGANPOHFYBEE-KRWDZBQOSA-N 2 2 338.373 2.964 10 30 EFEELP C[NH+]1CC[C@]2(CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207074 474904552 /nfs/dbraw/zinc/90/45/52/474904552.db2.gz SXAGANPOHFYBEE-KRWDZBQOSA-N 2 2 338.373 2.964 10 30 EFEELP C[NH+]1CC[C@]2(CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207074 474904559 /nfs/dbraw/zinc/90/45/59/474904559.db2.gz SXAGANPOHFYBEE-KRWDZBQOSA-N 2 2 338.373 2.964 10 30 EFEELP CN(CC#Cc1ccccc1Cl)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341134227 475012700 /nfs/dbraw/zinc/01/27/00/475012700.db2.gz IRLSBYRMFIUOHK-UHFFFAOYSA-N 2 2 333.907 2.649 10 30 EFEELP CN(CC#Cc1ccccc1Cl)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341134227 475012708 /nfs/dbraw/zinc/01/27/08/475012708.db2.gz IRLSBYRMFIUOHK-UHFFFAOYSA-N 2 2 333.907 2.649 10 30 EFEELP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000341134227 475012712 /nfs/dbraw/zinc/01/27/12/475012712.db2.gz IRLSBYRMFIUOHK-UHFFFAOYSA-N 2 2 333.907 2.649 10 30 EFEELP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000341134227 475012716 /nfs/dbraw/zinc/01/27/16/475012716.db2.gz IRLSBYRMFIUOHK-UHFFFAOYSA-N 2 2 333.907 2.649 10 30 EFEELP C[N@@H+](CC(=O)NCc1ccco1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328625748 475042670 /nfs/dbraw/zinc/04/26/70/475042670.db2.gz DMBYGZJSSRWIPD-LPHOPBHVSA-N 2 2 342.443 2.756 10 30 EFEELP C[N@H+](CC(=O)NCc1ccco1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328625748 475042679 /nfs/dbraw/zinc/04/26/79/475042679.db2.gz DMBYGZJSSRWIPD-LPHOPBHVSA-N 2 2 342.443 2.756 10 30 EFEELP C[NH+](CC(=O)NCc1ccco1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328625748 475042688 /nfs/dbraw/zinc/04/26/88/475042688.db2.gz DMBYGZJSSRWIPD-LPHOPBHVSA-N 2 2 342.443 2.756 10 30 EFEELP C[NH+](CC(=O)NCc1ccco1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328625748 475042695 /nfs/dbraw/zinc/04/26/95/475042695.db2.gz DMBYGZJSSRWIPD-LPHOPBHVSA-N 2 2 342.443 2.756 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)c3ccsc3)CC2)cc1 ZINC000361457302 475464062 /nfs/dbraw/zinc/46/40/62/475464062.db2.gz RNZAVOXZQLHEJE-LJQANCHMSA-N 2 2 341.480 2.907 10 30 EFEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000344079182 476156033 /nfs/dbraw/zinc/15/60/33/476156033.db2.gz ZFGDWLULZAIMFH-UHFFFAOYSA-N 3 2 325.460 2.706 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CCO)CCC3)CC2)cc1 ZINC000344288742 476219086 /nfs/dbraw/zinc/21/90/86/476219086.db2.gz KCBPQBQEWNPIFN-UHFFFAOYSA-N 2 2 327.472 2.665 10 30 EFEELP C=CC[C@H](CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000370003833 476626668 /nfs/dbraw/zinc/62/66/68/476626668.db2.gz CNONLHSDSMGDTK-KRWDZBQOSA-N 2 2 336.524 2.591 10 30 EFEELP C=C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426055239 477703067 /nfs/dbraw/zinc/70/30/67/477703067.db2.gz PGVQDEMCRUGDNQ-SFHVURJKSA-N 2 2 348.535 2.687 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819118 478355381 /nfs/dbraw/zinc/35/53/81/478355381.db2.gz SMEADDIFALCJKP-IBGZPJMESA-N 2 2 335.536 2.999 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819118 478355389 /nfs/dbraw/zinc/35/53/89/478355389.db2.gz SMEADDIFALCJKP-IBGZPJMESA-N 2 2 335.536 2.999 10 30 EFEELP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000527298488 478420283 /nfs/dbraw/zinc/42/02/83/478420283.db2.gz JCUWLJNRTIFRCC-ROUUACIJSA-N 2 2 346.519 2.525 10 30 EFEELP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000527298488 478420286 /nfs/dbraw/zinc/42/02/86/478420286.db2.gz JCUWLJNRTIFRCC-ROUUACIJSA-N 2 2 346.519 2.525 10 30 EFEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000600720649 478484194 /nfs/dbraw/zinc/48/41/94/478484194.db2.gz IMUSEGHNOQWVFH-RTBURBONSA-N 2 2 327.472 2.685 10 30 EFEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000600720649 478484201 /nfs/dbraw/zinc/48/42/01/478484201.db2.gz IMUSEGHNOQWVFH-RTBURBONSA-N 2 2 327.472 2.685 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCC(O)CC3)CC2)cc1 ZINC000594991145 478621406 /nfs/dbraw/zinc/62/14/06/478621406.db2.gz FCUIHPGNQICDJI-UHFFFAOYSA-N 2 2 327.472 2.663 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000598723369 478991216 /nfs/dbraw/zinc/99/12/16/478991216.db2.gz HFLPXGGEEBCPGH-AZUAARDMSA-N 2 2 329.488 2.931 10 30 EFEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000598723369 478991220 /nfs/dbraw/zinc/99/12/20/478991220.db2.gz HFLPXGGEEBCPGH-AZUAARDMSA-N 2 2 329.488 2.931 10 30 EFEELP N#CC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000601967636 479101442 /nfs/dbraw/zinc/10/14/42/479101442.db2.gz VOULONWWTLUQIH-HXUWFJFHSA-N 2 2 327.472 2.687 10 30 EFEELP N#CC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000601967636 479101450 /nfs/dbraw/zinc/10/14/50/479101450.db2.gz VOULONWWTLUQIH-HXUWFJFHSA-N 2 2 327.472 2.687 10 30 EFEELP N#CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000601967635 479101509 /nfs/dbraw/zinc/10/15/09/479101509.db2.gz VOULONWWTLUQIH-FQEVSTJZSA-N 2 2 327.472 2.687 10 30 EFEELP N#CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000601967635 479101513 /nfs/dbraw/zinc/10/15/13/479101513.db2.gz VOULONWWTLUQIH-FQEVSTJZSA-N 2 2 327.472 2.687 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972369 479109078 /nfs/dbraw/zinc/10/90/78/479109078.db2.gz QDRFWGYENIBESZ-SJLPKXTDSA-N 2 2 340.471 2.516 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972369 479109082 /nfs/dbraw/zinc/10/90/82/479109082.db2.gz QDRFWGYENIBESZ-SJLPKXTDSA-N 2 2 340.471 2.516 10 30 EFEELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599371677 479273545 /nfs/dbraw/zinc/27/35/45/479273545.db2.gz FAJWYVJGZXKESC-MOPGFXCFSA-N 2 2 329.488 2.787 10 30 EFEELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599371677 479273550 /nfs/dbraw/zinc/27/35/50/479273550.db2.gz FAJWYVJGZXKESC-MOPGFXCFSA-N 2 2 329.488 2.787 10 30 EFEELP Cc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593693144 479425330 /nfs/dbraw/zinc/42/53/30/479425330.db2.gz QSUPDVCYICGLJW-UHFFFAOYSA-N 2 2 336.439 2.722 10 30 EFEELP C=CC[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000636855808 481159320 /nfs/dbraw/zinc/15/93/20/481159320.db2.gz MFVGKMLBCNRNLF-SFHVURJKSA-N 2 2 348.535 2.544 10 30 EFEELP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796894 481973993 /nfs/dbraw/zinc/97/39/93/481973993.db2.gz CZWSAHAABLRCSV-ZIFCJYIRSA-N 2 2 349.425 2.525 10 30 EFEELP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796894 481973998 /nfs/dbraw/zinc/97/39/98/481973998.db2.gz CZWSAHAABLRCSV-ZIFCJYIRSA-N 2 2 349.425 2.525 10 30 EFEELP C=CCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654666586 481989150 /nfs/dbraw/zinc/98/91/50/481989150.db2.gz RTGRXUQKOUSGIN-SFHVURJKSA-N 2 2 336.524 2.543 10 30 EFEELP C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654666586 481989155 /nfs/dbraw/zinc/98/91/55/481989155.db2.gz RTGRXUQKOUSGIN-SFHVURJKSA-N 2 2 336.524 2.543 10 30 EFEELP CN(C)c1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181494320 522371122 /nfs/dbraw/zinc/37/11/22/522371122.db2.gz AWGGXKJKSBLEML-UHFFFAOYSA-N 2 2 349.482 2.773 10 30 EFEELP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000177045947 523937715 /nfs/dbraw/zinc/93/77/15/523937715.db2.gz VETAWEKNMDZJMB-IBGZPJMESA-N 2 2 341.455 2.580 10 30 EFEELP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515618 524278377 /nfs/dbraw/zinc/27/83/77/524278377.db2.gz WRPCBFJKEVFYRO-JKSUJKDBSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515618 524278389 /nfs/dbraw/zinc/27/83/89/524278389.db2.gz WRPCBFJKEVFYRO-JKSUJKDBSA-N 2 2 349.438 2.714 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)cc1 ZINC000181516759 526609203 /nfs/dbraw/zinc/60/92/03/526609203.db2.gz OUENNYZEBLEBNC-UHFFFAOYSA-N 3 2 340.515 2.988 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000755661337 575614795 /nfs/dbraw/zinc/61/47/95/575614795.db2.gz HHPIJXXGFAFURR-OALUTQOASA-N 2 2 328.456 2.710 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000755661337 575614798 /nfs/dbraw/zinc/61/47/98/575614798.db2.gz HHPIJXXGFAFURR-OALUTQOASA-N 2 2 328.456 2.710 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000772983980 581385492 /nfs/dbraw/zinc/38/54/92/581385492.db2.gz BPDXLHLNQCCMNS-BMGDILEWSA-N 2 2 343.471 2.948 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000772983980 581385495 /nfs/dbraw/zinc/38/54/95/581385495.db2.gz BPDXLHLNQCCMNS-BMGDILEWSA-N 2 2 343.471 2.948 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001691380043 1248712842 /nfs/dbraw/zinc/71/28/42/1248712842.db2.gz GPAIMJUSTCFTLX-INMHGKMJSA-N 2 2 332.492 2.832 10 30 EFEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691401347 1248741322 /nfs/dbraw/zinc/74/13/22/1248741322.db2.gz GMBCYMFPBDCTDL-SJLPKXTDSA-N 2 2 332.492 2.915 10 30 EFEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691401347 1248741326 /nfs/dbraw/zinc/74/13/26/1248741326.db2.gz GMBCYMFPBDCTDL-SJLPKXTDSA-N 2 2 332.492 2.915 10 30 EFEELP C=CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)c1ccc(C(C)C)cc1 ZINC001691773668 1248900643 /nfs/dbraw/zinc/90/06/43/1248900643.db2.gz ZWBRWBWQVKTGHC-LJQANCHMSA-N 2 2 340.471 2.719 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001691482544 1249224421 /nfs/dbraw/zinc/22/44/21/1249224421.db2.gz LRHRXSSHAAATIJ-DLBZAZTESA-N 2 2 332.492 2.862 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001691482544 1249224430 /nfs/dbraw/zinc/22/44/30/1249224430.db2.gz LRHRXSSHAAATIJ-DLBZAZTESA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001273292553 1265527118 /nfs/dbraw/zinc/52/71/18/1265527118.db2.gz XISCQOYQPWSSLU-QAPCUYQASA-N 2 2 345.487 2.792 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691629808 1251878219 /nfs/dbraw/zinc/87/82/19/1251878219.db2.gz WTIWGAOBMZXTSH-RCCFBDPRSA-N 2 2 344.503 2.851 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484340850 1252427305 /nfs/dbraw/zinc/42/73/05/1252427305.db2.gz ARSMYOZFNKEVQA-HUUCEWRRSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484340849 1252427557 /nfs/dbraw/zinc/42/75/57/1252427557.db2.gz ARSMYOZFNKEVQA-GJZGRUSLSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001484391141 1252501066 /nfs/dbraw/zinc/50/10/66/1252501066.db2.gz IHEAQOJTULJBBF-FJIDUMEYSA-N 2 2 330.476 2.597 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001484391141 1252501072 /nfs/dbraw/zinc/50/10/72/1252501072.db2.gz IHEAQOJTULJBBF-FJIDUMEYSA-N 2 2 330.476 2.597 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001484462634 1252659505 /nfs/dbraw/zinc/65/95/05/1252659505.db2.gz GKSZKEOJMCOKBV-BRWVUGGUSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001484462634 1252659516 /nfs/dbraw/zinc/65/95/16/1252659516.db2.gz GKSZKEOJMCOKBV-BRWVUGGUSA-N 2 2 341.927 2.925 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716392 1252791126 /nfs/dbraw/zinc/79/11/26/1252791126.db2.gz JOLHPYNVIOBAIA-AEFFLSMTSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716392 1252791135 /nfs/dbraw/zinc/79/11/35/1252791135.db2.gz JOLHPYNVIOBAIA-AEFFLSMTSA-N 2 2 345.487 2.958 10 30 EFEELP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921557877 1257472756 /nfs/dbraw/zinc/47/27/56/1257472756.db2.gz NLUJFRFAWXAVFB-UHFFFAOYSA-N 2 2 340.496 2.657 10 30 EFEELP C#CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001670977668 1259264831 /nfs/dbraw/zinc/26/48/31/1259264831.db2.gz YHUIAOICLYMGFE-QZTJIDSGSA-N 2 2 342.487 2.678 10 30 EFEELP C#CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001670977668 1259264835 /nfs/dbraw/zinc/26/48/35/1259264835.db2.gz YHUIAOICLYMGFE-QZTJIDSGSA-N 2 2 342.487 2.678 10 30 EFEELP C#CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001670977668 1259264842 /nfs/dbraw/zinc/26/48/42/1259264842.db2.gz YHUIAOICLYMGFE-QZTJIDSGSA-N 2 2 342.487 2.678 10 30 EFEELP C#CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001670977668 1259264846 /nfs/dbraw/zinc/26/48/46/1259264846.db2.gz YHUIAOICLYMGFE-QZTJIDSGSA-N 2 2 342.487 2.678 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039509 1259849654 /nfs/dbraw/zinc/84/96/54/1259849654.db2.gz OXLKLDHRMLNOAH-PXNSSMCTSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039509 1259849663 /nfs/dbraw/zinc/84/96/63/1259849663.db2.gz OXLKLDHRMLNOAH-PXNSSMCTSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039509 1259849673 /nfs/dbraw/zinc/84/96/73/1259849673.db2.gz OXLKLDHRMLNOAH-PXNSSMCTSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039509 1259849677 /nfs/dbraw/zinc/84/96/77/1259849677.db2.gz OXLKLDHRMLNOAH-PXNSSMCTSA-N 2 2 344.503 2.869 10 30 EFEELP C[NH2+]CCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923532016 1261859513 /nfs/dbraw/zinc/85/95/13/1261859513.db2.gz XHXADFHEOLGTQC-YUMQZZPRSA-N 2 2 340.258 2.699 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486146697 1262694150 /nfs/dbraw/zinc/69/41/50/1262694150.db2.gz JTDMHYPOIGCRJC-RRIFGTCXSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486146697 1262694153 /nfs/dbraw/zinc/69/41/53/1262694153.db2.gz JTDMHYPOIGCRJC-RRIFGTCXSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486146697 1262694156 /nfs/dbraw/zinc/69/41/56/1262694156.db2.gz JTDMHYPOIGCRJC-RRIFGTCXSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486146697 1262694161 /nfs/dbraw/zinc/69/41/61/1262694161.db2.gz JTDMHYPOIGCRJC-RRIFGTCXSA-N 2 2 328.460 2.593 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001486403229 1263053175 /nfs/dbraw/zinc/05/31/75/1263053175.db2.gz NDKQLCUVYAMUPL-NVXWUHKLSA-N 2 2 332.492 2.532 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511889 1263288568 /nfs/dbraw/zinc/28/85/68/1263288568.db2.gz PUPDIJDMFQCSGJ-FUHWJXTLSA-N 2 2 342.487 2.549 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511889 1263288581 /nfs/dbraw/zinc/28/85/81/1263288581.db2.gz PUPDIJDMFQCSGJ-FUHWJXTLSA-N 2 2 342.487 2.549 10 30 EFEELP N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738147913 1268371147 /nfs/dbraw/zinc/37/11/47/1268371147.db2.gz GDDQHSCFPYADRA-GOSISDBHSA-N 2 2 332.411 2.913 10 30 EFEELP N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738147913 1268371158 /nfs/dbraw/zinc/37/11/58/1268371158.db2.gz GDDQHSCFPYADRA-GOSISDBHSA-N 2 2 332.411 2.913 10 30 EFEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000739858711 1268765282 /nfs/dbraw/zinc/76/52/82/1268765282.db2.gz PRDRZAHOMKNWQB-GOSISDBHSA-N 2 2 347.426 2.616 10 30 EFEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000739858711 1268765288 /nfs/dbraw/zinc/76/52/88/1268765288.db2.gz PRDRZAHOMKNWQB-GOSISDBHSA-N 2 2 347.426 2.616 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015601 1277218711 /nfs/dbraw/zinc/21/87/11/1277218711.db2.gz DZDNANCNPYXYIS-HUUCEWRRSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015601 1277218718 /nfs/dbraw/zinc/21/87/18/1277218718.db2.gz DZDNANCNPYXYIS-HUUCEWRRSA-N 2 2 329.916 2.686 10 30 EFEELP C=C[C@@H](COC)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178536969 1288808949 /nfs/dbraw/zinc/80/89/49/1288808949.db2.gz FUTXKMFPBANUDS-HNNXBMFYSA-N 2 2 335.835 2.906 10 30 EFEELP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001277660168 1312693541 /nfs/dbraw/zinc/69/35/41/1312693541.db2.gz PCGVLFHTMCSBFA-KRWDZBQOSA-N 2 2 346.519 2.867 10 30 EFEELP C=CC[NH+]1CCC([NH2+]Cc2ccnc3c(C(=O)OC)cccc23)CC1 ZINC000877009071 1291104938 /nfs/dbraw/zinc/10/49/38/1291104938.db2.gz GNTMPPDBJHXNTH-UHFFFAOYSA-N 2 2 339.439 2.761 10 30 EFEELP CC(C)[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+]1CCOCC1 ZINC000304701069 1295733754 /nfs/dbraw/zinc/73/37/54/1295733754.db2.gz VKFSFBDLRSCVOF-IBGZPJMESA-N 2 2 344.503 2.649 10 30 EFEELP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277883467 1313186948 /nfs/dbraw/zinc/18/69/48/1313186948.db2.gz IPVOZNPZVYLSLT-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(C#N)c1O ZINC000925555191 1296853668 /nfs/dbraw/zinc/85/36/68/1296853668.db2.gz FODCXIASLYQEMH-IPMKNSEASA-N 2 2 343.471 2.682 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001489084944 1298016947 /nfs/dbraw/zinc/01/69/47/1298016947.db2.gz JQJMMIKCDKHWPM-QRQLOZEOSA-N 2 2 344.503 2.845 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001489084944 1298016953 /nfs/dbraw/zinc/01/69/53/1298016953.db2.gz JQJMMIKCDKHWPM-QRQLOZEOSA-N 2 2 344.503 2.845 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001490597658 1299019559 /nfs/dbraw/zinc/01/95/59/1299019559.db2.gz WUAVYIFTBALBHI-KRWDZBQOSA-N 2 2 344.503 2.864 10 30 EFEELP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(C#N)c1O ZINC000866384857 1303619824 /nfs/dbraw/zinc/61/98/24/1303619824.db2.gz FAQFXDGTYFLDJC-HNNXBMFYSA-N 2 2 343.471 2.805 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000868222585 1304194971 /nfs/dbraw/zinc/19/49/71/1304194971.db2.gz ZGWYURVQARMWCQ-IBGZPJMESA-N 2 2 342.487 2.513 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000868222585 1304194972 /nfs/dbraw/zinc/19/49/72/1304194972.db2.gz ZGWYURVQARMWCQ-IBGZPJMESA-N 2 2 342.487 2.513 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001277317333 1311973907 /nfs/dbraw/zinc/97/39/07/1311973907.db2.gz YYYIBLFWIUFPQT-PYWTVGQWSA-N 2 2 342.487 2.601 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001277410848 1312131139 /nfs/dbraw/zinc/13/11/39/1312131139.db2.gz FHPHDHNAXGTQSI-INIZCTEOSA-N 2 2 345.487 2.910 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001277410848 1312131142 /nfs/dbraw/zinc/13/11/42/1312131142.db2.gz FHPHDHNAXGTQSI-INIZCTEOSA-N 2 2 345.487 2.910 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001277429412 1312156327 /nfs/dbraw/zinc/15/63/27/1312156327.db2.gz NWWSIINZFYHQGL-CGTJXYLNSA-N 2 2 344.503 2.801 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001277429412 1312156329 /nfs/dbraw/zinc/15/63/29/1312156329.db2.gz NWWSIINZFYHQGL-CGTJXYLNSA-N 2 2 344.503 2.801 10 30 EFEELP 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ZINC001278668149 1315454154 /nfs/dbraw/zinc/45/41/54/1315454154.db2.gz LMGFRPATUUWIDL-IBGZPJMESA-N 2 2 326.444 2.742 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001278669002 1315456842 /nfs/dbraw/zinc/45/68/42/1315456842.db2.gz RWUROIQEBGIMFE-FXAWDEMLSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001278669002 1315456845 /nfs/dbraw/zinc/45/68/45/1315456845.db2.gz RWUROIQEBGIMFE-FXAWDEMLSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001278978776 1316013541 /nfs/dbraw/zinc/01/35/41/1316013541.db2.gz MQJUUWJNXIZOMT-HOTGVXAUSA-N 2 2 332.492 2.532 10 30 EFEELP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001263884397 1316572307 /nfs/dbraw/zinc/57/23/07/1316572307.db2.gz NZOVGHOGNROFQA-RBUKOAKNSA-N 2 2 338.455 2.503 10 30 EFEELP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001263884397 1316572309 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BUXVBUQXLASZGE-IEBWSBKVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001264515059 1316625476 /nfs/dbraw/zinc/62/54/76/1316625476.db2.gz IZHZFAWLRKCGLY-DLBZAZTESA-N 2 2 332.492 2.536 10 30 EFEELP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001264553436 1316630909 /nfs/dbraw/zinc/63/09/09/1316630909.db2.gz MGQHPKDIGKMNJS-CEXWTWQISA-N 2 2 344.503 2.710 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001264555232 1316631017 /nfs/dbraw/zinc/63/10/17/1316631017.db2.gz FHTPFTBXOGSMJT-KURKYZTESA-N 2 2 346.519 2.924 10 30 EFEELP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264586060 1316635547 /nfs/dbraw/zinc/63/55/47/1316635547.db2.gz KWRLDPLVBGLKJK-QRQLOZEOSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264586060 1316635549 /nfs/dbraw/zinc/63/55/49/1316635549.db2.gz KWRLDPLVBGLKJK-QRQLOZEOSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264586058 1316635816 /nfs/dbraw/zinc/63/58/16/1316635816.db2.gz KWRLDPLVBGLKJK-NEWSRXKRSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264586058 1316635818 /nfs/dbraw/zinc/63/58/18/1316635818.db2.gz KWRLDPLVBGLKJK-NEWSRXKRSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001264585833 1316635842 /nfs/dbraw/zinc/63/58/42/1316635842.db2.gz HITHICBIHPOKAI-ATZDWAIDSA-N 2 2 344.503 2.832 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001264585833 1316635844 /nfs/dbraw/zinc/63/58/44/1316635844.db2.gz HITHICBIHPOKAI-ATZDWAIDSA-N 2 2 344.503 2.832 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCCCC)[C@@H]1C ZINC001264705630 1316658376 /nfs/dbraw/zinc/65/83/76/1316658376.db2.gz XTKYVCGEEFICAK-QYZOEREBSA-N 2 2 333.520 2.633 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCCC)[C@@H]1C ZINC001264705630 1316658377 /nfs/dbraw/zinc/65/83/77/1316658377.db2.gz XTKYVCGEEFICAK-QYZOEREBSA-N 2 2 333.520 2.633 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCCC)[C@@H]1C ZINC001264705630 1316658378 /nfs/dbraw/zinc/65/83/78/1316658378.db2.gz XTKYVCGEEFICAK-QYZOEREBSA-N 2 2 333.520 2.633 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCCC)[C@@H]1C ZINC001264705630 1316658379 /nfs/dbraw/zinc/65/83/79/1316658379.db2.gz XTKYVCGEEFICAK-QYZOEREBSA-N 2 2 333.520 2.633 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001264741624 1316663512 /nfs/dbraw/zinc/66/35/12/1316663512.db2.gz JMQYYXYIFMBFNB-SFHVURJKSA-N 2 2 345.487 2.912 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001264741624 1316663514 /nfs/dbraw/zinc/66/35/14/1316663514.db2.gz JMQYYXYIFMBFNB-SFHVURJKSA-N 2 2 345.487 2.912 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265082667 1316714806 /nfs/dbraw/zinc/71/48/06/1316714806.db2.gz DMMJIBASHHZQCQ-FUHWJXTLSA-N 2 2 344.503 2.697 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265219207 1316756690 /nfs/dbraw/zinc/75/66/90/1316756690.db2.gz VKXPNDVBCXUFQU-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265219207 1316756692 /nfs/dbraw/zinc/75/66/92/1316756692.db2.gz VKXPNDVBCXUFQU-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397336 1316798701 /nfs/dbraw/zinc/79/87/01/1316798701.db2.gz WZDJDYKDIRRXPT-DLBZAZTESA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397336 1316798704 /nfs/dbraw/zinc/79/87/04/1316798704.db2.gz WZDJDYKDIRRXPT-DLBZAZTESA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397336 1316798706 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VSKPXHKEHIDRPY-HNNXBMFYSA-N 2 2 326.444 2.923 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317842609 1328412316 /nfs/dbraw/zinc/41/23/16/1328412316.db2.gz VSKPXHKEHIDRPY-HNNXBMFYSA-N 2 2 326.444 2.923 10 30 EFEELP C=CCO[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001322278196 1329443065 /nfs/dbraw/zinc/44/30/65/1329443065.db2.gz VQVSQZXMPRXPRM-UXHICEINSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCO[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001322278196 1329443067 /nfs/dbraw/zinc/44/30/67/1329443067.db2.gz VQVSQZXMPRXPRM-UXHICEINSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCO[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001322278196 1329443069 /nfs/dbraw/zinc/44/30/69/1329443069.db2.gz VQVSQZXMPRXPRM-UXHICEINSA-N 2 2 330.472 2.554 10 30 EFEELP C=CCO[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001322278196 1329443071 /nfs/dbraw/zinc/44/30/71/1329443071.db2.gz VQVSQZXMPRXPRM-UXHICEINSA-N 2 2 330.472 2.554 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001323088667 1329510666 /nfs/dbraw/zinc/51/06/66/1329510666.db2.gz IQLSXLOCOFZCMH-SFHVURJKSA-N 2 2 340.471 2.636 10 30 EFEELP CC#CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCCC1 ZINC001323722826 1329564973 /nfs/dbraw/zinc/56/49/73/1329564973.db2.gz SRYQVIQZWGGIAP-GOSISDBHSA-N 2 2 344.503 2.999 10 30 EFEELP CC#CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCCC1 ZINC001323722826 1329564975 /nfs/dbraw/zinc/56/49/75/1329564975.db2.gz SRYQVIQZWGGIAP-GOSISDBHSA-N 2 2 344.503 2.999 10 30 EFEELP C#CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CCCCCC1 ZINC001323721831 1329565292 /nfs/dbraw/zinc/56/52/92/1329565292.db2.gz JJDZVHZTKBXDLF-UHFFFAOYSA-N 2 2 338.455 2.722 10 30 EFEELP C#CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CCCCCC1 ZINC001323721831 1329565295 /nfs/dbraw/zinc/56/52/95/1329565295.db2.gz JJDZVHZTKBXDLF-UHFFFAOYSA-N 2 2 338.455 2.722 10 30 EFEELP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001323735945 1329566123 /nfs/dbraw/zinc/56/61/23/1329566123.db2.gz HSBIBPQILBTUDK-UHFFFAOYSA-N 2 2 330.476 2.540 10 30 EFEELP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001323735945 1329566125 /nfs/dbraw/zinc/56/61/25/1329566125.db2.gz HSBIBPQILBTUDK-UHFFFAOYSA-N 2 2 330.476 2.540 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001323873989 1329582065 /nfs/dbraw/zinc/58/20/65/1329582065.db2.gz WTDVVYHGLJBDHF-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001323873989 1329582067 /nfs/dbraw/zinc/58/20/67/1329582067.db2.gz WTDVVYHGLJBDHF-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001325449467 1329689012 /nfs/dbraw/zinc/68/90/12/1329689012.db2.gz KQRBCLLHONXPOF-IRXDYDNUSA-N 2 2 340.471 2.588 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001325507659 1329692965 /nfs/dbraw/zinc/69/29/65/1329692965.db2.gz FAUOHKZOTUEMHB-QAPCUYQASA-N 2 2 340.471 2.907 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001326522126 1330310397 /nfs/dbraw/zinc/31/03/97/1330310397.db2.gz SXRBFAPLNWURNV-QBPKDAKJSA-N 2 2 330.476 2.744 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001326522126 1330310400 /nfs/dbraw/zinc/31/04/00/1330310400.db2.gz SXRBFAPLNWURNV-QBPKDAKJSA-N 2 2 330.476 2.744 10 30 EFEELP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001327307907 1330456416 /nfs/dbraw/zinc/45/64/16/1330456416.db2.gz HCTVJHMFWMJAOE-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001327307907 1330456425 /nfs/dbraw/zinc/45/64/25/1330456425.db2.gz HCTVJHMFWMJAOE-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530011 1330496081 /nfs/dbraw/zinc/49/60/81/1330496081.db2.gz MYXSKROTMQGATO-AZUAARDMSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001327530011 1330496083 /nfs/dbraw/zinc/49/60/83/1330496083.db2.gz MYXSKROTMQGATO-AZUAARDMSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328281378 1330581222 /nfs/dbraw/zinc/58/12/22/1330581222.db2.gz CGNBCFJMGJSYES-IRXDYDNUSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328281378 1330581223 /nfs/dbraw/zinc/58/12/23/1330581223.db2.gz CGNBCFJMGJSYES-IRXDYDNUSA-N 2 2 332.492 2.678 10 30 EFEELP C=CC[N@@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001328578852 1330604793 /nfs/dbraw/zinc/60/47/93/1330604793.db2.gz SHEZGKIFWDIJPZ-UHFFFAOYSA-N 2 2 326.444 2.923 10 30 EFEELP C=CC[N@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001328578852 1330604796 /nfs/dbraw/zinc/60/47/96/1330604796.db2.gz SHEZGKIFWDIJPZ-UHFFFAOYSA-N 2 2 326.444 2.923 10 30 EFEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001328578845 1330604828 /nfs/dbraw/zinc/60/48/28/1330604828.db2.gz RVYSDCSGWAJVPS-UHFFFAOYSA-N 2 2 338.455 2.532 10 30 EFEELP C#CCC[N@H+](CC)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001328578845 1330604831 /nfs/dbraw/zinc/60/48/31/1330604831.db2.gz RVYSDCSGWAJVPS-UHFFFAOYSA-N 2 2 338.455 2.532 10 30 EFEELP C=CCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001329241329 1330685023 /nfs/dbraw/zinc/68/50/23/1330685023.db2.gz XVLRDGGWLZQOHL-UHFFFAOYSA-N 2 2 331.460 2.568 10 30 EFEELP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001329307926 1330692800 /nfs/dbraw/zinc/69/28/00/1330692800.db2.gz PCVMWAJFWFKMCV-IAGOWNOFSA-N 2 2 346.519 2.874 10 30 EFEELP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001329577015 1330720477 /nfs/dbraw/zinc/72/04/77/1330720477.db2.gz VVWOSPXLPUJTRM-INIZCTEOSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001329577015 1330720479 /nfs/dbraw/zinc/72/04/79/1330720479.db2.gz VVWOSPXLPUJTRM-INIZCTEOSA-N 2 2 328.460 2.588 10 30 EFEELP C=C(C)C[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001329828716 1330740838 /nfs/dbraw/zinc/74/08/38/1330740838.db2.gz GEPFTERPEJYLJU-UHFFFAOYSA-N 2 2 326.444 2.933 10 30 EFEELP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329922785 1330750916 /nfs/dbraw/zinc/75/09/16/1330750916.db2.gz FYITWRFANATLCJ-QGZVFWFLSA-N 2 2 332.492 2.864 10 30 EFEELP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329922785 1330750917 /nfs/dbraw/zinc/75/09/17/1330750917.db2.gz FYITWRFANATLCJ-QGZVFWFLSA-N 2 2 332.492 2.864 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331028915 1330784897 /nfs/dbraw/zinc/78/48/97/1330784897.db2.gz DNVSKXNQBHZRES-IRXDYDNUSA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331028915 1330784901 /nfs/dbraw/zinc/78/49/01/1330784901.db2.gz DNVSKXNQBHZRES-IRXDYDNUSA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331028913 1330785119 /nfs/dbraw/zinc/78/51/19/1330785119.db2.gz DNVSKXNQBHZRES-DLBZAZTESA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331028913 1330785121 /nfs/dbraw/zinc/78/51/21/1330785121.db2.gz DNVSKXNQBHZRES-DLBZAZTESA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001333003993 1331062973 /nfs/dbraw/zinc/06/29/73/1331062973.db2.gz FTCDOQJGEYVWHX-IRXDYDNUSA-N 2 2 346.519 2.924 10 30 EFEELP C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC001333066667 1331073950 /nfs/dbraw/zinc/07/39/50/1331073950.db2.gz LCICLVFORMFLCT-XEYPJELSSA-N 2 2 334.504 2.521 10 30 EFEELP C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC001333066667 1331073952 /nfs/dbraw/zinc/07/39/52/1331073952.db2.gz LCICLVFORMFLCT-XEYPJELSSA-N 2 2 334.504 2.521 10 30 EFEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001338505893 1331711895 /nfs/dbraw/zinc/71/18/95/1331711895.db2.gz SZGDGXQDYOCDTA-MRXNPFEDSA-N 2 2 327.255 2.714 10 30 EFEELP C=CCCC[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001346538832 1332654850 /nfs/dbraw/zinc/65/48/50/1332654850.db2.gz XDDCYTYHVVDRFY-IBGZPJMESA-N 2 2 344.503 2.806 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2)CC1 ZINC001479996326 1333018524 /nfs/dbraw/zinc/01/85/24/1333018524.db2.gz DPIFVVWTJIPRII-KRWDZBQOSA-N 2 2 332.492 2.941 10 30 EFEELP COc1ccc(C#N)cc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001363321292 1336874134 /nfs/dbraw/zinc/87/41/34/1336874134.db2.gz ZQIIXUWUNNQIGQ-BGYRXZFFSA-N 2 2 325.456 2.875 10 30 EFEELP COc1ccc(C#N)cc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001363321292 1336874139 /nfs/dbraw/zinc/87/41/39/1336874139.db2.gz ZQIIXUWUNNQIGQ-BGYRXZFFSA-N 2 2 325.456 2.875 10 30 EFEELP COc1ccc(C#N)cc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001363321292 1336874140 /nfs/dbraw/zinc/87/41/40/1336874140.db2.gz ZQIIXUWUNNQIGQ-BGYRXZFFSA-N 2 2 325.456 2.875 10 30 EFEELP COc1ccc(C#N)cc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001363321292 1336874145 /nfs/dbraw/zinc/87/41/45/1336874145.db2.gz ZQIIXUWUNNQIGQ-BGYRXZFFSA-N 2 2 325.456 2.875 10 30 EFEELP C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001372356490 1340771271 /nfs/dbraw/zinc/77/12/71/1340771271.db2.gz BCUXBXSZGZMXQY-UHFFFAOYSA-N 2 2 329.916 2.830 10 30 EFEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001372356490 1340771273 /nfs/dbraw/zinc/77/12/73/1340771273.db2.gz BCUXBXSZGZMXQY-UHFFFAOYSA-N 2 2 329.916 2.830 10 30 EFEELP C=C(Cl)C[NH+](CC)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001372356490 1340771275 /nfs/dbraw/zinc/77/12/75/1340771275.db2.gz BCUXBXSZGZMXQY-UHFFFAOYSA-N 2 2 329.916 2.830 10 30 EFEELP C=C(Cl)C[NH+](CC)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001372356490 1340771279 /nfs/dbraw/zinc/77/12/79/1340771279.db2.gz BCUXBXSZGZMXQY-UHFFFAOYSA-N 2 2 329.916 2.830 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001375593082 1342911112 /nfs/dbraw/zinc/91/11/12/1342911112.db2.gz SFVDYXSGONJVND-BMFZPTHFSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001377788160 1344439980 /nfs/dbraw/zinc/43/99/80/1344439980.db2.gz KFFWKDWIYQJAPH-UHFFFAOYSA-N 2 2 338.883 2.610 10 30 EFEELP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001377788160 1344439984 /nfs/dbraw/zinc/43/99/84/1344439984.db2.gz KFFWKDWIYQJAPH-UHFFFAOYSA-N 2 2 338.883 2.610 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001380661059 1347796725 /nfs/dbraw/zinc/79/67/25/1347796725.db2.gz ZMUPKXYTZVYODJ-QZTJIDSGSA-N 2 2 349.906 2.843 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001380661059 1347796730 /nfs/dbraw/zinc/79/67/30/1347796730.db2.gz ZMUPKXYTZVYODJ-QZTJIDSGSA-N 2 2 349.906 2.843 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001394270267 1357654276 /nfs/dbraw/zinc/65/42/76/1357654276.db2.gz XRSICRZIQSAYKV-YJBOKZPZSA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001394270267 1357654284 /nfs/dbraw/zinc/65/42/84/1357654284.db2.gz XRSICRZIQSAYKV-YJBOKZPZSA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001398468375 1360584859 /nfs/dbraw/zinc/58/48/59/1360584859.db2.gz FPJCDXHALSQJKV-HZPDHXFCSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001398468375 1360584862 /nfs/dbraw/zinc/58/48/62/1360584862.db2.gz FPJCDXHALSQJKV-HZPDHXFCSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001400128154 1361761294 /nfs/dbraw/zinc/76/12/94/1361761294.db2.gz KEDDZVXUMKMMLU-IAGOWNOFSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001400128154 1361761298 /nfs/dbraw/zinc/76/12/98/1361761298.db2.gz KEDDZVXUMKMMLU-IAGOWNOFSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001400128154 1361761301 /nfs/dbraw/zinc/76/13/01/1361761301.db2.gz KEDDZVXUMKMMLU-IAGOWNOFSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001400128154 1361761304 /nfs/dbraw/zinc/76/13/04/1361761304.db2.gz KEDDZVXUMKMMLU-IAGOWNOFSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001402389980 1363649020 /nfs/dbraw/zinc/64/90/20/1363649020.db2.gz DGQJTOQJMPIVKV-AWEZNQCLSA-N 2 2 338.883 2.610 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001402389980 1363649023 /nfs/dbraw/zinc/64/90/23/1363649023.db2.gz DGQJTOQJMPIVKV-AWEZNQCLSA-N 2 2 338.883 2.610 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001402918990 1364134652 /nfs/dbraw/zinc/13/46/52/1364134652.db2.gz AHCHKNMCUOEBMT-QZTJIDSGSA-N 2 2 349.906 2.965 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001402918990 1364134655 /nfs/dbraw/zinc/13/46/55/1364134655.db2.gz AHCHKNMCUOEBMT-QZTJIDSGSA-N 2 2 349.906 2.965 10 30 EFEELP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001403295499 1364511133 /nfs/dbraw/zinc/51/11/33/1364511133.db2.gz OOBFCZFMVVMYJH-HZPDHXFCSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001403295499 1364511136 /nfs/dbraw/zinc/51/11/36/1364511136.db2.gz OOBFCZFMVVMYJH-HZPDHXFCSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[NH+](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001404262226 1365408987 /nfs/dbraw/zinc/40/89/87/1365408987.db2.gz VONOGBIIGZSWEU-UHFFFAOYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001404262226 1365408992 /nfs/dbraw/zinc/40/89/92/1365408992.db2.gz VONOGBIIGZSWEU-UHFFFAOYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001404262226 1365408995 /nfs/dbraw/zinc/40/89/95/1365408995.db2.gz VONOGBIIGZSWEU-UHFFFAOYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001404262226 1365408999 /nfs/dbraw/zinc/40/89/99/1365408999.db2.gz VONOGBIIGZSWEU-UHFFFAOYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418158598 1373700631 /nfs/dbraw/zinc/70/06/31/1373700631.db2.gz MQWNWZYWZYHZMW-SJORKVTESA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418158598 1373700632 /nfs/dbraw/zinc/70/06/32/1373700632.db2.gz MQWNWZYWZYHZMW-SJORKVTESA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001421659272 1378961936 /nfs/dbraw/zinc/96/19/36/1378961936.db2.gz WIZOKLLFWIROAS-INIZCTEOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001421659272 1378961939 /nfs/dbraw/zinc/96/19/39/1378961939.db2.gz WIZOKLLFWIROAS-INIZCTEOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421659272 1378961942 /nfs/dbraw/zinc/96/19/42/1378961942.db2.gz WIZOKLLFWIROAS-INIZCTEOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421659272 1378961945 /nfs/dbraw/zinc/96/19/45/1378961945.db2.gz WIZOKLLFWIROAS-INIZCTEOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001422555192 1380311238 /nfs/dbraw/zinc/31/12/38/1380311238.db2.gz VNQOHIXXIHGQCU-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001422555192 1380311240 /nfs/dbraw/zinc/31/12/40/1380311240.db2.gz VNQOHIXXIHGQCU-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001422555192 1380311242 /nfs/dbraw/zinc/31/12/42/1380311242.db2.gz VNQOHIXXIHGQCU-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001422555192 1380311244 /nfs/dbraw/zinc/31/12/44/1380311244.db2.gz VNQOHIXXIHGQCU-RDJZCZTQSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001422658877 1380517963 /nfs/dbraw/zinc/51/79/63/1380517963.db2.gz BBLGSCFNTDZCDV-RBSFLKMASA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001422658877 1380517965 /nfs/dbraw/zinc/51/79/65/1380517965.db2.gz BBLGSCFNTDZCDV-RBSFLKMASA-N 2 2 338.883 2.728 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001423605234 1382153335 /nfs/dbraw/zinc/15/33/35/1382153335.db2.gz KJLDJHCKXDXGFL-UONOGXRCSA-N 2 2 326.872 2.707 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001423976627 1382579248 /nfs/dbraw/zinc/57/92/48/1382579248.db2.gz RFQFCKGRHUEPPM-LRDDRELGSA-N 2 2 346.862 2.693 10 30 EFEELP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001506853040 1406338327 /nfs/dbraw/zinc/33/83/27/1406338327.db2.gz AHKLVXNURMQMMP-FHWLQOOXSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001506853040 1406338340 /nfs/dbraw/zinc/33/83/40/1406338340.db2.gz AHKLVXNURMQMMP-FHWLQOOXSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001439394240 1389231732 /nfs/dbraw/zinc/23/17/32/1389231732.db2.gz VMTZIULUVQJNND-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001439394240 1389231741 /nfs/dbraw/zinc/23/17/41/1389231741.db2.gz VMTZIULUVQJNND-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001439394240 1389231752 /nfs/dbraw/zinc/23/17/52/1389231752.db2.gz VMTZIULUVQJNND-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001439394240 1389231763 /nfs/dbraw/zinc/23/17/63/1389231763.db2.gz VMTZIULUVQJNND-DOTOQJQBSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001440219913 1389449591 /nfs/dbraw/zinc/44/95/91/1389449591.db2.gz RQUVDVRPFQPNIU-GOSISDBHSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001440219913 1389449594 /nfs/dbraw/zinc/44/95/94/1389449594.db2.gz RQUVDVRPFQPNIU-GOSISDBHSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001440219913 1389449600 /nfs/dbraw/zinc/44/96/00/1389449600.db2.gz RQUVDVRPFQPNIU-GOSISDBHSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001440219913 1389449609 /nfs/dbraw/zinc/44/96/09/1389449609.db2.gz RQUVDVRPFQPNIU-GOSISDBHSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001441415496 1391290415 /nfs/dbraw/zinc/29/04/15/1391290415.db2.gz XEFYVPMVNRBFMF-CQSZACIVSA-N 2 2 334.851 2.821 10 30 EFEELP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001447968379 1391862928 /nfs/dbraw/zinc/86/29/28/1391862928.db2.gz AKIZGVMOBFDJSK-UHFFFAOYSA-N 2 2 340.899 2.753 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001479503297 1397739547 /nfs/dbraw/zinc/73/95/47/1397739547.db2.gz NGOAQPQBYARVNY-KRWDZBQOSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001479503302 1397739721 /nfs/dbraw/zinc/73/97/21/1397739721.db2.gz NGOAQPQBYARVNY-QGZVFWFLSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001479519620 1397746931 /nfs/dbraw/zinc/74/69/31/1397746931.db2.gz NIUJDFZUSAYQLF-SJLPKXTDSA-N 2 2 345.487 2.816 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001479693970 1397766143 /nfs/dbraw/zinc/76/61/43/1397766143.db2.gz JETFPWWSCIIQKD-KRWDZBQOSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001479696241 1397767700 /nfs/dbraw/zinc/76/77/00/1397767700.db2.gz VIPJLYZKCBXJSU-SFHVURJKSA-N 2 2 332.492 2.990 10 30 EFEELP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001479988351 1398073538 /nfs/dbraw/zinc/07/35/38/1398073538.db2.gz JEIGSKXVEWWPFO-LSDHHAIUSA-N 2 2 336.867 2.557 10 30 EFEELP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480703895 1398296515 /nfs/dbraw/zinc/29/65/15/1398296515.db2.gz VXUSHGZIGWUGSY-QZTJIDSGSA-N 2 2 336.439 2.526 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001507359758 1406949876 /nfs/dbraw/zinc/94/98/76/1406949876.db2.gz VWWCYWIWNWEIBC-MBOZVWFJSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001507359758 1406949877 /nfs/dbraw/zinc/94/98/77/1406949877.db2.gz VWWCYWIWNWEIBC-MBOZVWFJSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001493205029 1398529820 /nfs/dbraw/zinc/52/98/20/1398529820.db2.gz ZSALIRFFDNBDGY-INIZCTEOSA-N 2 2 326.444 2.661 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001493205029 1398529822 /nfs/dbraw/zinc/52/98/22/1398529822.db2.gz ZSALIRFFDNBDGY-INIZCTEOSA-N 2 2 326.444 2.661 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493211977 1398537198 /nfs/dbraw/zinc/53/71/98/1398537198.db2.gz BTMOYUGAHJJVPN-ZWKOTPCHSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493211977 1398537201 /nfs/dbraw/zinc/53/72/01/1398537201.db2.gz BTMOYUGAHJJVPN-ZWKOTPCHSA-N 2 2 332.492 2.875 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001507369774 1406965104 /nfs/dbraw/zinc/96/51/04/1406965104.db2.gz VXJLUABDHFYFJB-IPMKNSEASA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)C[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001493859159 1398930593 /nfs/dbraw/zinc/93/05/93/1398930593.db2.gz NEZXDEWBBCRGNW-SFHVURJKSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)C[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001493859159 1398930597 /nfs/dbraw/zinc/93/05/97/1398930597.db2.gz NEZXDEWBBCRGNW-SFHVURJKSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001493859159 1398930599 /nfs/dbraw/zinc/93/05/99/1398930599.db2.gz NEZXDEWBBCRGNW-SFHVURJKSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001493859159 1398930601 /nfs/dbraw/zinc/93/06/01/1398930601.db2.gz NEZXDEWBBCRGNW-SFHVURJKSA-N 2 2 347.507 2.583 10 30 EFEELP C=CC[NH2+]Cc1ccc(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC001495496183 1400029290 /nfs/dbraw/zinc/02/92/90/1400029290.db2.gz LIDRTBPJCZUKFI-UHFFFAOYSA-N 2 2 348.450 2.777 10 30 EFEELP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001495520201 1400050955 /nfs/dbraw/zinc/05/09/55/1400050955.db2.gz MRFOUBHPZRFJQW-GOSISDBHSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCC1 ZINC001495925614 1400358181 /nfs/dbraw/zinc/35/81/81/1400358181.db2.gz RNVQNPFONOBYTO-UHFFFAOYSA-N 2 2 332.492 2.911 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCCC1 ZINC001496313823 1400630682 /nfs/dbraw/zinc/63/06/82/1400630682.db2.gz YNPPORWSZPDIEC-GOSISDBHSA-N 2 2 345.487 2.864 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001496324123 1400639838 /nfs/dbraw/zinc/63/98/38/1400639838.db2.gz NKXYWEQNWLSSCP-WMZOPIPTSA-N 2 2 330.476 2.512 10 30 EFEELP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001496401393 1400706459 /nfs/dbraw/zinc/70/64/59/1400706459.db2.gz VEDYEHIAZZYPLW-OALUTQOASA-N 2 2 344.503 2.854 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001496406396 1400710395 /nfs/dbraw/zinc/71/03/95/1400710395.db2.gz IOOHQSOUGKJFPE-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001498408704 1402078416 /nfs/dbraw/zinc/07/84/16/1402078416.db2.gz NJNIWTMNJOVOLE-IAGOWNOFSA-N 2 2 342.487 2.976 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001498408704 1402078419 /nfs/dbraw/zinc/07/84/19/1402078419.db2.gz NJNIWTMNJOVOLE-IAGOWNOFSA-N 2 2 342.487 2.976 10 30 EFEELP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001499570519 1402690282 /nfs/dbraw/zinc/69/02/82/1402690282.db2.gz PYHNZGIJLRBTRW-UYAOXDASSA-N 2 2 344.503 2.971 10 30 EFEELP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001499570519 1402690287 /nfs/dbraw/zinc/69/02/87/1402690287.db2.gz PYHNZGIJLRBTRW-UYAOXDASSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001508076243 1407283312 /nfs/dbraw/zinc/28/33/12/1407283312.db2.gz JQDOCEVHHVOQRP-SJORKVTESA-N 2 2 346.519 2.924 10 30 EFEELP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001501015938 1403405868 /nfs/dbraw/zinc/40/58/68/1403405868.db2.gz PRPROGPLSVTTPB-IBGZPJMESA-N 2 2 344.503 2.800 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501054504 1403422880 /nfs/dbraw/zinc/42/28/80/1403422880.db2.gz SOPSMSOTNWWVMF-HUUCEWRRSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001501168770 1403471258 /nfs/dbraw/zinc/47/12/58/1403471258.db2.gz JVJXUKUKZDGTTL-AKHDSKFASA-N 2 2 344.503 2.987 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001501168770 1403471260 /nfs/dbraw/zinc/47/12/60/1403471260.db2.gz JVJXUKUKZDGTTL-AKHDSKFASA-N 2 2 344.503 2.987 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001501172312 1403474790 /nfs/dbraw/zinc/47/47/90/1403474790.db2.gz UCYHIHZAFWSRHJ-WCXIOVBPSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001501172312 1403474791 /nfs/dbraw/zinc/47/47/91/1403474791.db2.gz UCYHIHZAFWSRHJ-WCXIOVBPSA-N 2 2 330.476 2.666 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001501399892 1403587622 /nfs/dbraw/zinc/58/76/22/1403587622.db2.gz MOOGJYGQYBCYGH-MSOLQXFVSA-N 2 2 330.476 2.764 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001501399892 1403587624 /nfs/dbraw/zinc/58/76/24/1403587624.db2.gz MOOGJYGQYBCYGH-MSOLQXFVSA-N 2 2 330.476 2.764 10 30 EFEELP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001501663625 1403682236 /nfs/dbraw/zinc/68/22/36/1403682236.db2.gz WPGOEEJNAPOGBS-UHFFFAOYSA-N 2 2 332.407 2.558 10 30 EFEELP C#CC[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001501663625 1403682259 /nfs/dbraw/zinc/68/22/59/1403682259.db2.gz WPGOEEJNAPOGBS-UHFFFAOYSA-N 2 2 332.407 2.558 10 30 EFEELP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001501676716 1403706122 /nfs/dbraw/zinc/70/61/22/1403706122.db2.gz OJNUGRBHJDRVLO-ZTFGCOKTSA-N 2 2 336.439 2.504 10 30 EFEELP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001501676716 1403706133 /nfs/dbraw/zinc/70/61/33/1403706133.db2.gz OJNUGRBHJDRVLO-ZTFGCOKTSA-N 2 2 336.439 2.504 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001501745371 1403762041 /nfs/dbraw/zinc/76/20/41/1403762041.db2.gz WTJHJMQLRIMMFY-IAGOWNOFSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001501745371 1403762050 /nfs/dbraw/zinc/76/20/50/1403762050.db2.gz WTJHJMQLRIMMFY-IAGOWNOFSA-N 2 2 344.503 2.867 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001725751996 1425818428 /nfs/dbraw/zinc/81/84/28/1425818428.db2.gz OZDNREWNZLXQDI-INMHGKMJSA-N 2 2 332.492 2.610 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001505922059 1405227529 /nfs/dbraw/zinc/22/75/29/1405227529.db2.gz GAABKJXIKRMBIW-KBPBESRZSA-N 2 2 326.872 2.586 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001505922059 1405227537 /nfs/dbraw/zinc/22/75/37/1405227537.db2.gz GAABKJXIKRMBIW-KBPBESRZSA-N 2 2 326.872 2.586 10 30 EFEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001506633005 1406070892 /nfs/dbraw/zinc/07/08/92/1406070892.db2.gz OWUZKMNWNTWAKL-SJORKVTESA-N 2 2 344.503 2.628 10 30 EFEELP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001565935729 1415176012 /nfs/dbraw/zinc/17/60/12/1415176012.db2.gz GXSOUTABDDBQID-KXBFYZLASA-N 2 2 338.455 2.807 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001560489011 1415285936 /nfs/dbraw/zinc/28/59/36/1415285936.db2.gz WDVSIZYGPFFLTI-UHFFFAOYSA-N 2 2 344.890 2.938 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001560489011 1415285938 /nfs/dbraw/zinc/28/59/38/1415285938.db2.gz WDVSIZYGPFFLTI-UHFFFAOYSA-N 2 2 344.890 2.938 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001565922284 1415450818 /nfs/dbraw/zinc/45/08/18/1415450818.db2.gz OWWHSCNYAFPLOT-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001565988056 1415471341 /nfs/dbraw/zinc/47/13/41/1415471341.db2.gz PLNMCYFGIOOLOQ-QZTJIDSGSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001566070749 1415502294 /nfs/dbraw/zinc/50/22/94/1415502294.db2.gz JDQBQIQLDVJXBG-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001566070750 1415502458 /nfs/dbraw/zinc/50/24/58/1415502458.db2.gz JDQBQIQLDVJXBG-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001566094731 1415512763 /nfs/dbraw/zinc/51/27/63/1415512763.db2.gz UKYYEAVRKLBHJE-KURKYZTESA-N 2 2 346.519 2.995 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001566094731 1415512767 /nfs/dbraw/zinc/51/27/67/1415512767.db2.gz UKYYEAVRKLBHJE-KURKYZTESA-N 2 2 346.519 2.995 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001566131579 1415530693 /nfs/dbraw/zinc/53/06/93/1415530693.db2.gz NJUMZDANGCMOLZ-QGZVFWFLSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001566131579 1415530695 /nfs/dbraw/zinc/53/06/95/1415530695.db2.gz NJUMZDANGCMOLZ-QGZVFWFLSA-N 2 2 332.492 2.846 10 30 EFEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001566531495 1415619558 /nfs/dbraw/zinc/61/95/58/1415619558.db2.gz ZMCXOYWFEHJUAT-WMZOPIPTSA-N 2 2 338.455 2.639 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001566755896 1415764269 /nfs/dbraw/zinc/76/42/69/1415764269.db2.gz VQQZSXUBDJGKCC-UYTYNIKBSA-N 2 2 342.487 2.554 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001566755896 1415764270 /nfs/dbraw/zinc/76/42/70/1415764270.db2.gz VQQZSXUBDJGKCC-UYTYNIKBSA-N 2 2 342.487 2.554 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001567039902 1415910867 /nfs/dbraw/zinc/91/08/67/1415910867.db2.gz WLTKVEHUUPHFSP-JKSUJKDBSA-N 2 2 326.444 2.935 10 30 EFEELP C=CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567170393 1415967535 /nfs/dbraw/zinc/96/75/35/1415967535.db2.gz WPPOLFTZIRSBLB-MSOLQXFVSA-N 2 2 345.487 2.840 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001567634394 1416219333 /nfs/dbraw/zinc/21/93/33/1416219333.db2.gz VBVXGAHJMLIWMB-CVEARBPZSA-N 2 2 332.492 2.534 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001568062072 1416386839 /nfs/dbraw/zinc/38/68/39/1416386839.db2.gz UHEMMNNDTZNKRZ-ZWKOTPCHSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)C[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001568457147 1416538128 /nfs/dbraw/zinc/53/81/28/1416538128.db2.gz HBIPNNZGVUZQPT-SFHVURJKSA-N 2 2 326.444 2.792 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001689126235 1417018831 /nfs/dbraw/zinc/01/88/31/1417018831.db2.gz DNNCKMHUBAIFBY-ZHALLVOQSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001690191086 1417171298 /nfs/dbraw/zinc/17/12/98/1417171298.db2.gz LXNLUULSRWIGOP-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001690191086 1417171303 /nfs/dbraw/zinc/17/13/03/1417171303.db2.gz LXNLUULSRWIGOP-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690718345 1417230286 /nfs/dbraw/zinc/23/02/86/1417230286.db2.gz GBMZIVJURYJNTF-HUUCEWRRSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001690726243 1417231477 /nfs/dbraw/zinc/23/14/77/1417231477.db2.gz MBADCQFXSZYCOB-CVEARBPZSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001698731047 1417321852 /nfs/dbraw/zinc/32/18/52/1417321852.db2.gz PDQIKCSZNAVAEH-JKSUJKDBSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001698951392 1417354918 /nfs/dbraw/zinc/35/49/18/1417354918.db2.gz AXUDVSWSZSSVAN-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001698951392 1417354923 /nfs/dbraw/zinc/35/49/23/1417354923.db2.gz AXUDVSWSZSSVAN-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001698951392 1417354928 /nfs/dbraw/zinc/35/49/28/1417354928.db2.gz AXUDVSWSZSSVAN-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001698951392 1417354935 /nfs/dbraw/zinc/35/49/35/1417354935.db2.gz AXUDVSWSZSSVAN-IAGOWNOFSA-N 2 2 330.476 2.650 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001699014712 1417369593 /nfs/dbraw/zinc/36/95/93/1417369593.db2.gz IHJZKGASBBZMBI-ZWKOTPCHSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001699014712 1417369595 /nfs/dbraw/zinc/36/95/95/1417369595.db2.gz IHJZKGASBBZMBI-ZWKOTPCHSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[NH+]1CCC2(CCN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001699694161 1417456191 /nfs/dbraw/zinc/45/61/91/1417456191.db2.gz DRWGJIUNXQUADS-UHFFFAOYSA-N 2 2 344.503 2.633 10 30 EFEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001699786353 1417469137 /nfs/dbraw/zinc/46/91/37/1417469137.db2.gz UUOPURNIWIKYAY-SJORKVTESA-N 2 2 344.503 2.561 10 30 EFEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001699786353 1417469140 /nfs/dbraw/zinc/46/91/40/1417469140.db2.gz UUOPURNIWIKYAY-SJORKVTESA-N 2 2 344.503 2.561 10 30 EFEELP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001699862506 1417483138 /nfs/dbraw/zinc/48/31/38/1417483138.db2.gz WUASJDFRERQAOW-SFHVURJKSA-N 2 2 344.503 2.712 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001699980310 1417535514 /nfs/dbraw/zinc/53/55/14/1417535514.db2.gz YCAWKOOUOPIGTD-BZSNNMDCSA-N 2 2 332.492 2.923 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001700109506 1417572059 /nfs/dbraw/zinc/57/20/59/1417572059.db2.gz NOZIXKNWKFZQBR-HNNXBMFYSA-N 2 2 330.476 2.540 10 30 EFEELP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001700867053 1417668029 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CTJLGGCNZIINOA-QGZVFWFLSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001717209430 1419267658 /nfs/dbraw/zinc/26/76/58/1419267658.db2.gz XTPNRJALNQFDRT-SJORKVTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001717209430 1419267660 /nfs/dbraw/zinc/26/76/60/1419267660.db2.gz XTPNRJALNQFDRT-SJORKVTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247026 1419290101 /nfs/dbraw/zinc/29/01/01/1419290101.db2.gz AWAAHZARQJLVOS-VQIMIIECSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001717247026 1419290104 /nfs/dbraw/zinc/29/01/04/1419290104.db2.gz AWAAHZARQJLVOS-VQIMIIECSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717343765 1419342904 /nfs/dbraw/zinc/34/29/04/1419342904.db2.gz AARDHDAFKVSLTN-IBGZPJMESA-N 2 2 338.455 2.552 10 30 EFEELP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717343765 1419342906 /nfs/dbraw/zinc/34/29/06/1419342906.db2.gz AARDHDAFKVSLTN-IBGZPJMESA-N 2 2 338.455 2.552 10 30 EFEELP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717447638 1419397902 /nfs/dbraw/zinc/39/79/02/1419397902.db2.gz QUJDJESGMNILSM-CTWPCTMYSA-N 2 2 344.503 2.853 10 30 EFEELP C#CCC[NH2+]C[C@H](CCCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717530711 1419429361 /nfs/dbraw/zinc/42/93/61/1419429361.db2.gz VSVCJJKTFWFAGX-KRWDZBQOSA-N 2 2 326.444 2.544 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC/C=C/CC ZINC001717538752 1419434778 /nfs/dbraw/zinc/43/47/78/1419434778.db2.gz UFZUMQKRZSKMSN-KPDZFXRVSA-N 2 2 345.531 2.801 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC/C=C/CC ZINC001717538752 1419434780 /nfs/dbraw/zinc/43/47/80/1419434780.db2.gz UFZUMQKRZSKMSN-KPDZFXRVSA-N 2 2 345.531 2.801 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC/C=C/CC ZINC001717538752 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CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569642456 1085472912 /nfs/dbraw/zinc/47/29/12/1085472912.db2.gz DNGMYJQJYYSLFV-PXNSSMCTSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569642456 1085472915 /nfs/dbraw/zinc/47/29/15/1085472915.db2.gz DNGMYJQJYYSLFV-PXNSSMCTSA-N 2 2 346.519 2.997 10 30 EFEELP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001569686377 1085517711 /nfs/dbraw/zinc/51/77/11/1085517711.db2.gz DSAURUFUFQVAOK-HXUWFJFHSA-N 2 2 340.471 2.590 10 30 EFEELP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001569910467 1085749724 /nfs/dbraw/zinc/74/97/24/1085749724.db2.gz ROVRUESDZAMYHO-OTWHNJEPSA-N 2 2 342.487 2.559 10 30 EFEELP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001569910467 1085749729 /nfs/dbraw/zinc/74/97/29/1085749729.db2.gz ROVRUESDZAMYHO-OTWHNJEPSA-N 2 2 342.487 2.559 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001569986608 1085821731 /nfs/dbraw/zinc/82/17/31/1085821731.db2.gz JXDUEVHZONKEEV-QGZVFWFLSA-N 2 2 332.492 2.721 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395901 1086200055 /nfs/dbraw/zinc/20/00/55/1086200055.db2.gz SKVIRUOCAWHOKK-SJORKVTESA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001570395901 1086200074 /nfs/dbraw/zinc/20/00/74/1086200074.db2.gz SKVIRUOCAWHOKK-SJORKVTESA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001570399695 1086203774 /nfs/dbraw/zinc/20/37/74/1086203774.db2.gz IIRMVJYUJVHJCC-KRWDZBQOSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001570399695 1086203782 /nfs/dbraw/zinc/20/37/82/1086203782.db2.gz IIRMVJYUJVHJCC-KRWDZBQOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001570537227 1086328657 /nfs/dbraw/zinc/32/86/57/1086328657.db2.gz ZPFCOAGMOKIINS-MRXNPFEDSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001570537227 1086328664 /nfs/dbraw/zinc/32/86/64/1086328664.db2.gz ZPFCOAGMOKIINS-MRXNPFEDSA-N 2 2 326.444 2.837 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001570664313 1086447094 /nfs/dbraw/zinc/44/70/94/1086447094.db2.gz HFOGBWXCXNPMRA-OPQOLIRYSA-N 2 2 344.503 2.849 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001570798842 1086525550 /nfs/dbraw/zinc/52/55/50/1086525550.db2.gz VXJFQDJVZMADDL-KRWDZBQOSA-N 2 2 344.503 2.820 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001571021185 1086643580 /nfs/dbraw/zinc/64/35/80/1086643580.db2.gz DZJZTPUFDDSEQV-FHWLQOOXSA-N 2 2 344.503 2.846 10 30 EFEELP C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001571021185 1086643581 /nfs/dbraw/zinc/64/35/81/1086643581.db2.gz DZJZTPUFDDSEQV-FHWLQOOXSA-N 2 2 344.503 2.846 10 30 EFEELP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001571053408 1086656560 /nfs/dbraw/zinc/65/65/60/1086656560.db2.gz MJVYCQYRQGSDSB-UHFFFAOYSA-N 2 2 332.492 2.778 10 30 EFEELP CCCCCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001571053408 1086656562 /nfs/dbraw/zinc/65/65/62/1086656562.db2.gz MJVYCQYRQGSDSB-UHFFFAOYSA-N 2 2 332.492 2.778 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001571540948 1086947295 /nfs/dbraw/zinc/94/72/95/1086947295.db2.gz WDEVNEFJRCYYSB-CVEARBPZSA-N 2 2 326.444 2.789 10 30 EFEELP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001571560022 1086961313 /nfs/dbraw/zinc/96/13/13/1086961313.db2.gz QAZDSGWDQVBQIJ-DLBZAZTESA-N 2 2 332.492 2.873 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001571568897 1086968385 /nfs/dbraw/zinc/96/83/85/1086968385.db2.gz SHAFCNNVKVYYSY-SJORKVTESA-N 2 2 332.492 2.845 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001571627220 1086998634 /nfs/dbraw/zinc/99/86/34/1086998634.db2.gz PPHWTQJORRALSH-JKSUJKDBSA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001671229879 1088364418 /nfs/dbraw/zinc/36/44/18/1088364418.db2.gz AWVSHSUBMZZZKE-SJORKVTESA-N 2 2 344.503 2.697 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001267085379 1092615821 /nfs/dbraw/zinc/61/58/21/1092615821.db2.gz OEJOJUMSVVBRDK-CVEARBPZSA-N 2 2 326.444 2.931 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001267148431 1092915296 /nfs/dbraw/zinc/91/52/96/1092915296.db2.gz QYIZDRZRHFUDDH-INIZCTEOSA-N 2 2 328.460 2.636 10 30 EFEELP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267168147 1093031090 /nfs/dbraw/zinc/03/10/90/1093031090.db2.gz NEBRDXRVXNSDAL-SFHVURJKSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267168147 1093031097 /nfs/dbraw/zinc/03/10/97/1093031097.db2.gz NEBRDXRVXNSDAL-SFHVURJKSA-N 2 2 344.503 2.699 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267189880 1093135152 /nfs/dbraw/zinc/13/51/52/1093135152.db2.gz AFVRRZLMIZLSHO-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001267215479 1093222900 /nfs/dbraw/zinc/22/29/00/1093222900.db2.gz HRNXELUQLOGQFK-HNNXBMFYSA-N 2 2 332.492 2.870 10 30 EFEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001671251012 1093291573 /nfs/dbraw/zinc/29/15/73/1093291573.db2.gz HTRHYZYGTNXSQL-SJORKVTESA-N 2 2 334.508 2.902 10 30 EFEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001267284987 1093475037 /nfs/dbraw/zinc/47/50/37/1093475037.db2.gz ZLVKRPTUZXRQKC-QGZVFWFLSA-N 2 2 332.492 2.628 10 30 EFEELP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001267284987 1093475042 /nfs/dbraw/zinc/47/50/42/1093475042.db2.gz ZLVKRPTUZXRQKC-QGZVFWFLSA-N 2 2 332.492 2.628 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCCCC)C1 ZINC001481535511 1095173997 /nfs/dbraw/zinc/17/39/97/1095173997.db2.gz QVFQSTXEDYBLLF-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCCCC)C1 ZINC001481535511 1095174010 /nfs/dbraw/zinc/17/40/10/1095174010.db2.gz QVFQSTXEDYBLLF-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCCC)C1 ZINC001481535511 1095174017 /nfs/dbraw/zinc/17/40/17/1095174017.db2.gz QVFQSTXEDYBLLF-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCCC)C1 ZINC001481535511 1095174022 /nfs/dbraw/zinc/17/40/22/1095174022.db2.gz QVFQSTXEDYBLLF-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC001267523440 1095262166 /nfs/dbraw/zinc/26/21/66/1095262166.db2.gz UHJKNSKJZXVWNV-KURKYZTESA-N 2 2 338.455 2.547 10 30 EFEELP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268104607 1095363689 /nfs/dbraw/zinc/36/36/89/1095363689.db2.gz JJSWTDSKJUDSIA-QGZVFWFLSA-N 2 2 328.460 2.953 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267536096 1095391911 /nfs/dbraw/zinc/39/19/11/1095391911.db2.gz MILNSEWBRZWCHY-MSOLQXFVSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267536096 1095391919 /nfs/dbraw/zinc/39/19/19/1095391919.db2.gz MILNSEWBRZWCHY-MSOLQXFVSA-N 2 2 332.492 2.875 10 30 EFEELP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001268118820 1095404741 /nfs/dbraw/zinc/40/47/41/1095404741.db2.gz MRRKYYQJJVCECF-GOSISDBHSA-N 2 2 344.503 2.605 10 30 EFEELP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001268118822 1095405073 /nfs/dbraw/zinc/40/50/73/1095405073.db2.gz MRRKYYQJJVCECF-SFHVURJKSA-N 2 2 344.503 2.605 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001268120456 1095406138 /nfs/dbraw/zinc/40/61/38/1095406138.db2.gz VXGFXPFKAIHHIW-PKOBYXMFSA-N 2 2 344.503 2.676 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267544621 1095441921 /nfs/dbraw/zinc/44/19/21/1095441921.db2.gz SAFYVVDVTVMEJD-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267544621 1095441928 /nfs/dbraw/zinc/44/19/28/1095441928.db2.gz SAFYVVDVTVMEJD-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001268156032 1095563640 /nfs/dbraw/zinc/56/36/40/1095563640.db2.gz GYIWSKALOBSWRM-KRWDZBQOSA-N 2 2 332.492 2.680 10 30 EFEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267708634 1095566663 /nfs/dbraw/zinc/56/66/63/1095566663.db2.gz IEPARNWVBNEZLF-MWDXBVQZSA-N 2 2 330.476 2.769 10 30 EFEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267708634 1095566675 /nfs/dbraw/zinc/56/66/75/1095566675.db2.gz IEPARNWVBNEZLF-MWDXBVQZSA-N 2 2 330.476 2.769 10 30 EFEELP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001268187742 1096054049 /nfs/dbraw/zinc/05/40/49/1096054049.db2.gz FVEFYVBTYVZGJC-NVXWUHKLSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001268194400 1096071320 /nfs/dbraw/zinc/07/13/20/1096071320.db2.gz IRHRGZJXZGBUPG-IRXDYDNUSA-N 2 2 344.503 2.697 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001268194400 1096071332 /nfs/dbraw/zinc/07/13/32/1096071332.db2.gz IRHRGZJXZGBUPG-IRXDYDNUSA-N 2 2 344.503 2.697 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267594071 1096103413 /nfs/dbraw/zinc/10/34/13/1096103413.db2.gz XZTRHPSEQPSKSI-HOTGVXAUSA-N 2 2 332.492 2.822 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267594071 1096103423 /nfs/dbraw/zinc/10/34/23/1096103423.db2.gz XZTRHPSEQPSKSI-HOTGVXAUSA-N 2 2 332.492 2.822 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481732851 1096452031 /nfs/dbraw/zinc/45/20/31/1096452031.db2.gz XECFXVAHYFIXSK-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481732851 1096452035 /nfs/dbraw/zinc/45/20/35/1096452035.db2.gz XECFXVAHYFIXSK-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001481980590 1097035135 /nfs/dbraw/zinc/03/51/35/1097035135.db2.gz BGZGHERJMMUSSG-ZWKOTPCHSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482017384 1097090572 /nfs/dbraw/zinc/09/05/72/1097090572.db2.gz YYOVRIPDRUYYBZ-SMLCLMEVSA-N 2 2 330.476 2.885 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482017384 1097090577 /nfs/dbraw/zinc/09/05/77/1097090577.db2.gz YYOVRIPDRUYYBZ-SMLCLMEVSA-N 2 2 330.476 2.885 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482018560 1097092516 /nfs/dbraw/zinc/09/25/16/1097092516.db2.gz PYSUHKZVJCEWCH-BRSBDYLESA-N 2 2 344.503 2.817 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482018561 1097092615 /nfs/dbraw/zinc/09/26/15/1097092615.db2.gz PYSUHKZVJCEWCH-MHORFTMASA-N 2 2 344.503 2.817 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001269252361 1097986585 /nfs/dbraw/zinc/98/65/85/1097986585.db2.gz YIOKAWYCIQQOLC-IAGOWNOFSA-N 2 2 332.492 2.814 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001269252361 1097986590 /nfs/dbraw/zinc/98/65/90/1097986590.db2.gz YIOKAWYCIQQOLC-IAGOWNOFSA-N 2 2 332.492 2.814 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001482223084 1098172236 /nfs/dbraw/zinc/17/22/36/1098172236.db2.gz PNQZUBHQNJQYSV-IRXDYDNUSA-N 2 2 344.503 2.819 10 30 EFEELP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001269593247 1098272572 /nfs/dbraw/zinc/27/25/72/1098272572.db2.gz QXSMAHGQMLMQSY-QYZOEREBSA-N 2 2 342.487 2.559 10 30 EFEELP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001269593247 1098272575 /nfs/dbraw/zinc/27/25/75/1098272575.db2.gz QXSMAHGQMLMQSY-QYZOEREBSA-N 2 2 342.487 2.559 10 30 EFEELP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001269632465 1098310384 /nfs/dbraw/zinc/31/03/84/1098310384.db2.gz DSHUSVMWBKUTKR-UHFFFAOYSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001269632465 1098310395 /nfs/dbraw/zinc/31/03/95/1098310395.db2.gz DSHUSVMWBKUTKR-UHFFFAOYSA-N 2 2 330.476 2.552 10 30 EFEELP C=CC[NH2+]CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001269889897 1098506045 /nfs/dbraw/zinc/50/60/45/1098506045.db2.gz UNCPSNPDIBESQR-UHFFFAOYSA-N 2 2 338.455 2.890 10 30 EFEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267911364 1098584594 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330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001267974132 1099034438 /nfs/dbraw/zinc/03/44/38/1099034438.db2.gz NNYMLVUWZKIOTO-INIZCTEOSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001270512244 1099160174 /nfs/dbraw/zinc/16/01/74/1099160174.db2.gz HIILPFWEOKWLBA-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001270512244 1099160182 /nfs/dbraw/zinc/16/01/82/1099160182.db2.gz HIILPFWEOKWLBA-LJQANCHMSA-N 2 2 330.476 2.623 10 30 EFEELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001619905585 1099340117 /nfs/dbraw/zinc/34/01/17/1099340117.db2.gz YMSRTMQCWNIEOI-FQEVSTJZSA-N 2 2 332.407 2.909 10 30 EFEELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001619905585 1099340120 /nfs/dbraw/zinc/34/01/20/1099340120.db2.gz YMSRTMQCWNIEOI-FQEVSTJZSA-N 2 2 332.407 2.909 10 30 EFEELP 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EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001484557372 1113010322 /nfs/dbraw/zinc/01/03/22/1113010322.db2.gz KJFJCNPFROCJMM-OAHLLOKOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484557372 1113010326 /nfs/dbraw/zinc/01/03/26/1113010326.db2.gz KJFJCNPFROCJMM-OAHLLOKOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001484557372 1113010330 /nfs/dbraw/zinc/01/03/30/1113010330.db2.gz KJFJCNPFROCJMM-OAHLLOKOSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001484557372 1113010335 /nfs/dbraw/zinc/01/03/35/1113010335.db2.gz KJFJCNPFROCJMM-OAHLLOKOSA-N 2 2 349.906 2.829 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001484558295 1113011740 /nfs/dbraw/zinc/01/17/40/1113011740.db2.gz CYIIRQUCEJMXJY-YJBOKZPZSA-N 2 2 338.455 2.599 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001484559697 1113013960 /nfs/dbraw/zinc/01/39/60/1113013960.db2.gz UTJHRCADMVPYBI-MAUKXSAKSA-N 2 2 338.455 2.599 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001484568570 1113023658 /nfs/dbraw/zinc/02/36/58/1113023658.db2.gz MXNLORDVDYKNEF-BZSNNMDCSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001485081279 1118031612 /nfs/dbraw/zinc/03/16/12/1118031612.db2.gz AYEVCGOZZORWMF-RBUKOAKNSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001485081279 1118031618 /nfs/dbraw/zinc/03/16/18/1118031618.db2.gz AYEVCGOZZORWMF-RBUKOAKNSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001485082730 1118033953 /nfs/dbraw/zinc/03/39/53/1118033953.db2.gz IHONSISSNLQFLR-GOSISDBHSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001485082730 1118033958 /nfs/dbraw/zinc/03/39/58/1118033958.db2.gz IHONSISSNLQFLR-GOSISDBHSA-N 2 2 344.503 2.869 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485176942 1118112118 /nfs/dbraw/zinc/11/21/18/1118112118.db2.gz MRDBEZWVRQOFGG-KBPBESRZSA-N 2 2 332.835 2.721 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001485239295 1118170864 /nfs/dbraw/zinc/17/08/64/1118170864.db2.gz INNJPAGYIXMNRE-WWDZGPRUSA-N 2 2 344.503 2.771 10 30 EFEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001272701029 1118604740 /nfs/dbraw/zinc/60/47/40/1118604740.db2.gz RUFKEBDSUCABHM-HZPDHXFCSA-N 2 2 338.455 2.579 10 30 EFEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001272701029 1118604741 /nfs/dbraw/zinc/60/47/41/1118604741.db2.gz RUFKEBDSUCABHM-HZPDHXFCSA-N 2 2 338.455 2.579 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485815577 1119130394 /nfs/dbraw/zinc/13/03/94/1119130394.db2.gz MDGQLTOKMAXDOL-GOSISDBHSA-N 2 2 326.444 2.969 10 30 EFEELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191975945 240017313 /nfs/dbraw/zinc/01/73/13/240017313.db2.gz INTUGPASGBSVKT-PMACEKPBSA-N 2 2 325.500 2.529 10 30 EFEELP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000171563034 533161360 /nfs/dbraw/zinc/16/13/60/533161360.db2.gz CXDQOEBMQHJJSP-HNNXBMFYSA-N 2 2 333.395 2.848 10 30 EFEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000118397882 221145934 /nfs/dbraw/zinc/14/59/34/221145934.db2.gz YGNCKWYFYHINFY-WMLDXEAASA-N 2 2 336.443 2.710 10 30 EFEELP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000118532877 221154138 /nfs/dbraw/zinc/15/41/38/221154138.db2.gz SGBNVGXJFRKAIS-QGZVFWFLSA-N 2 2 337.471 2.912 10 30 EFEELP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000118532877 221154141 /nfs/dbraw/zinc/15/41/41/221154141.db2.gz SGBNVGXJFRKAIS-QGZVFWFLSA-N 2 2 337.471 2.912 10 30 EFEELP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210508 151301654 /nfs/dbraw/zinc/30/16/54/151301654.db2.gz VMLQKIAREMLVHA-UHFFFAOYSA-N 2 2 329.429 2.551 10 30 EFEELP C#CCCOc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000113320489 544569104 /nfs/dbraw/zinc/56/91/04/544569104.db2.gz WBQISMFJHUNFDT-UHFFFAOYSA-N 2 2 332.407 2.959 10 30 EFEELP COc1c(C)c[nH+]c(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)c1C ZINC000183780958 323347733 /nfs/dbraw/zinc/34/77/33/323347733.db2.gz OYYZTNRAGMOKQE-UHFFFAOYSA-N 2 2 335.411 2.858 10 30 EFEELP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cnc(C#N)cn3)cc2)CC1 ZINC000125169495 473368332 /nfs/dbraw/zinc/36/83/32/473368332.db2.gz YYUOIHRUYDQSNM-UHFFFAOYSA-N 2 2 336.443 2.870 10 30 EFEELP Cc1oc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000171387808 473375895 /nfs/dbraw/zinc/37/58/95/473375895.db2.gz AYJGSARRYLHORX-UHFFFAOYSA-N 2 2 344.459 2.514 10 30 EFEELP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH+]C(C)C)c2cccs2)CC1 ZINC000071843656 472581149 /nfs/dbraw/zinc/58/11/49/472581149.db2.gz BLNNHWFEPWLRFH-INIZCTEOSA-N 2 2 336.549 2.766 10 30 EFEELP C[NH+]1CCC(CNc2ncc(C#N)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000078457491 472718081 /nfs/dbraw/zinc/71/80/81/472718081.db2.gz SRCFPKJYZGSJPV-UHFFFAOYSA-N 2 2 347.894 2.969 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000105896399 472801778 /nfs/dbraw/zinc/80/17/78/472801778.db2.gz RKIDNVCPTZINIF-AWEZNQCLSA-N 2 2 343.456 2.654 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000105896399 472801784 /nfs/dbraw/zinc/80/17/84/472801784.db2.gz RKIDNVCPTZINIF-AWEZNQCLSA-N 2 2 343.456 2.654 10 30 EFEELP N#Cc1ccc2[nH+]cc(CNc3ccc(C[NH+]4CCOCC4)cc3)n2c1 ZINC000158005205 472882133 /nfs/dbraw/zinc/88/21/33/472882133.db2.gz XEDRQSDSFCKTIO-UHFFFAOYSA-N 2 2 347.422 2.650 10 30 EFEELP N#Cc1ccsc1NC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000108865155 473061491 /nfs/dbraw/zinc/06/14/91/473061491.db2.gz HWHSSDMAVPCISQ-UHFFFAOYSA-N 2 2 332.473 2.509 10 30 EFEELP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052890426 473160106 /nfs/dbraw/zinc/16/01/06/473160106.db2.gz CQZXEMUPBOMPFI-SFHVURJKSA-N 2 2 329.488 2.790 10 30 EFEELP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052890426 473160113 /nfs/dbraw/zinc/16/01/13/473160113.db2.gz CQZXEMUPBOMPFI-SFHVURJKSA-N 2 2 329.488 2.790 10 30 EFEELP Cc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000186210646 473617045 /nfs/dbraw/zinc/61/70/45/473617045.db2.gz MFTZDXRZIQGIQR-UHFFFAOYSA-N 2 2 337.471 2.660 10 30 EFEELP Cc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000186210646 473617049 /nfs/dbraw/zinc/61/70/49/473617049.db2.gz MFTZDXRZIQGIQR-UHFFFAOYSA-N 2 2 337.471 2.660 10 30 EFEELP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000182032720 474084557 /nfs/dbraw/zinc/08/45/57/474084557.db2.gz AVOCHIUWVUERIE-OAHLLOKOSA-N 2 2 337.471 2.775 10 30 EFEELP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000182032720 474084563 /nfs/dbraw/zinc/08/45/63/474084563.db2.gz AVOCHIUWVUERIE-OAHLLOKOSA-N 2 2 337.471 2.775 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246055 474097733 /nfs/dbraw/zinc/09/77/33/474097733.db2.gz UEAYLVMWUDOZOI-BLLLJJGKSA-N 2 2 348.516 2.837 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246055 474097740 /nfs/dbraw/zinc/09/77/40/474097740.db2.gz UEAYLVMWUDOZOI-BLLLJJGKSA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246055 474097744 /nfs/dbraw/zinc/09/77/44/474097744.db2.gz UEAYLVMWUDOZOI-BLLLJJGKSA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246055 474097753 /nfs/dbraw/zinc/09/77/53/474097753.db2.gz UEAYLVMWUDOZOI-BLLLJJGKSA-N 2 2 348.516 2.837 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413887 474582446 /nfs/dbraw/zinc/58/24/46/474582446.db2.gz BWBNXXQJYBTRQG-PKOBYXMFSA-N 2 2 342.487 2.595 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413887 474582451 /nfs/dbraw/zinc/58/24/51/474582451.db2.gz BWBNXXQJYBTRQG-PKOBYXMFSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413887 474582456 /nfs/dbraw/zinc/58/24/56/474582456.db2.gz BWBNXXQJYBTRQG-PKOBYXMFSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413887 474582462 /nfs/dbraw/zinc/58/24/62/474582462.db2.gz BWBNXXQJYBTRQG-PKOBYXMFSA-N 2 2 342.487 2.595 10 30 EFEELP Cc1cc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)ncn1 ZINC000292074069 474834563 /nfs/dbraw/zinc/83/45/63/474834563.db2.gz LNEOKGTXKRBDIN-UHFFFAOYSA-N 2 2 339.443 2.608 10 30 EFEELP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1F ZINC000358582062 475787108 /nfs/dbraw/zinc/78/71/08/475787108.db2.gz ZLCNWIUFLZGQAA-ZBFHGGJFSA-N 2 2 331.435 2.849 10 30 EFEELP C[NH+](C)CCOc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000355557775 476031585 /nfs/dbraw/zinc/03/15/85/476031585.db2.gz HSLHMJOCCGCYSY-UHFFFAOYSA-N 2 2 335.411 2.758 10 30 EFEELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C[C@H](C)C#N)C3CC3)c2cc1C ZINC000336880195 476168600 /nfs/dbraw/zinc/16/86/00/476168600.db2.gz PEOZFCDBQXJOSI-DYVFJYSZSA-N 2 2 326.444 2.638 10 30 EFEELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C[C@H](C)C#N)C3CC3)c2cc1C ZINC000336880195 476168610 /nfs/dbraw/zinc/16/86/10/476168610.db2.gz PEOZFCDBQXJOSI-DYVFJYSZSA-N 2 2 326.444 2.638 10 30 EFEELP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)c1C ZINC000360023983 476285194 /nfs/dbraw/zinc/28/51/94/476285194.db2.gz TYKVFHBANQJFSJ-LBPRGKRZSA-N 2 2 341.415 2.698 10 30 EFEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000424176517 477318579 /nfs/dbraw/zinc/31/85/79/477318579.db2.gz XZDQCBJQWITASL-ICSRJNTNSA-N 2 2 325.456 2.703 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420409499 477753234 /nfs/dbraw/zinc/75/32/34/477753234.db2.gz XBTDSFDPEBLQFC-HKUYNNGSSA-N 2 2 329.488 2.938 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420409499 477753242 /nfs/dbraw/zinc/75/32/42/477753242.db2.gz XBTDSFDPEBLQFC-HKUYNNGSSA-N 2 2 329.488 2.938 10 30 EFEELP C[N@H+](Cc1ccccc1)C1CN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000459586933 477991411 /nfs/dbraw/zinc/99/14/11/477991411.db2.gz DKYPTKNICSCSEG-UHFFFAOYSA-N 2 2 331.423 2.522 10 30 EFEELP C[N@@H+](Cc1ccccc1)C1CN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000459586933 477991418 /nfs/dbraw/zinc/99/14/18/477991418.db2.gz DKYPTKNICSCSEG-UHFFFAOYSA-N 2 2 331.423 2.522 10 30 EFEELP Cn1c[nH+]c(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000459673449 478034554 /nfs/dbraw/zinc/03/45/54/478034554.db2.gz YYJIQEBWEYHIKK-UHFFFAOYSA-N 2 2 334.427 2.530 10 30 EFEELP N#Cc1ccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000594518177 478422710 /nfs/dbraw/zinc/42/27/10/478422710.db2.gz MWADWBHQHCNQDV-IBGZPJMESA-N 2 2 325.456 2.780 10 30 EFEELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC2(C#N)CC2)c(C)c1 ZINC000600728393 478490161 /nfs/dbraw/zinc/49/01/61/478490161.db2.gz PFFXNVWBZWKIHR-HKUYNNGSSA-N 2 2 338.455 2.886 10 30 EFEELP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527805714 478528721 /nfs/dbraw/zinc/52/87/21/478528721.db2.gz WHNKZCSAOOGTFM-MFCZKXCZSA-N 2 2 327.472 2.924 10 30 EFEELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917936 478584482 /nfs/dbraw/zinc/58/44/82/478584482.db2.gz MDONWRWTZYVWTE-LJQANCHMSA-N 2 2 327.472 2.688 10 30 EFEELP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917936 478584489 /nfs/dbraw/zinc/58/44/89/478584489.db2.gz MDONWRWTZYVWTE-LJQANCHMSA-N 2 2 327.472 2.688 10 30 EFEELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000594996748 478622000 /nfs/dbraw/zinc/62/20/00/478622000.db2.gz YZHYMMVRVIHGHQ-SFHVURJKSA-N 2 2 340.496 2.526 10 30 EFEELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000594996748 478622009 /nfs/dbraw/zinc/62/20/09/478622009.db2.gz YZHYMMVRVIHGHQ-SFHVURJKSA-N 2 2 340.496 2.526 10 30 EFEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137736 478681239 /nfs/dbraw/zinc/68/12/39/478681239.db2.gz HCOAWLCAANXIRW-HOCLYGCPSA-N 2 2 326.469 2.872 10 30 EFEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137736 478681242 /nfs/dbraw/zinc/68/12/42/478681242.db2.gz HCOAWLCAANXIRW-HOCLYGCPSA-N 2 2 326.469 2.872 10 30 EFEELP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000565045342 478896193 /nfs/dbraw/zinc/89/61/93/478896193.db2.gz YNRKTRSWFKKJKU-DYVFJYSZSA-N 2 2 325.372 2.746 10 30 EFEELP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000565045342 478896200 /nfs/dbraw/zinc/89/62/00/478896200.db2.gz YNRKTRSWFKKJKU-DYVFJYSZSA-N 2 2 325.372 2.746 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972367 479109056 /nfs/dbraw/zinc/10/90/56/479109056.db2.gz QDRFWGYENIBESZ-AEFFLSMTSA-N 2 2 340.471 2.516 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000598972367 479109060 /nfs/dbraw/zinc/10/90/60/479109060.db2.gz QDRFWGYENIBESZ-AEFFLSMTSA-N 2 2 340.471 2.516 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000599009404 479124879 /nfs/dbraw/zinc/12/48/79/479124879.db2.gz KPEMRJIYZZKLOF-VQTJNVASSA-N 2 2 325.456 2.680 10 30 EFEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](C#N)C2)cc1F ZINC000596651803 479372639 /nfs/dbraw/zinc/37/26/39/479372639.db2.gz NXLJERLYOXXBHL-MBGYTDRXSA-N 2 2 331.435 2.952 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000599668519 479379336 /nfs/dbraw/zinc/37/93/36/479379336.db2.gz GTEYDXFULWRLAZ-UHFFFAOYSA-N 2 2 343.471 2.514 10 30 EFEELP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515588 479402278 /nfs/dbraw/zinc/40/22/78/479402278.db2.gz FTEANOOSRADYFH-RTBURBONSA-N 2 2 349.438 2.587 10 30 EFEELP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515588 479402284 /nfs/dbraw/zinc/40/22/84/479402284.db2.gz FTEANOOSRADYFH-RTBURBONSA-N 2 2 349.438 2.587 10 30 EFEELP CN(C(=O)CCCCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000594003773 479542229 /nfs/dbraw/zinc/54/22/29/479542229.db2.gz VIYGAEMVGUFJQP-RTBURBONSA-N 2 2 348.535 2.866 10 30 EFEELP CN(C(=O)CCCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000594003773 479542238 /nfs/dbraw/zinc/54/22/38/479542238.db2.gz VIYGAEMVGUFJQP-RTBURBONSA-N 2 2 348.535 2.866 10 30 EFEELP CN(C(=O)CCCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000594003770 479542533 /nfs/dbraw/zinc/54/25/33/479542533.db2.gz VIYGAEMVGUFJQP-MOPGFXCFSA-N 2 2 348.535 2.866 10 30 EFEELP CN(C(=O)CCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000594003770 479542538 /nfs/dbraw/zinc/54/25/38/479542538.db2.gz VIYGAEMVGUFJQP-MOPGFXCFSA-N 2 2 348.535 2.866 10 30 EFEELP C=CCOc1c(Cl)cc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000623546592 480335733 /nfs/dbraw/zinc/33/57/33/480335733.db2.gz IOWRTFRNCCCMNA-UHFFFAOYSA-N 2 2 335.835 2.979 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635530401 480443361 /nfs/dbraw/zinc/44/33/61/480443361.db2.gz ACMCQSKUPGFMPF-AWEZNQCLSA-N 2 2 344.381 2.533 10 30 EFEELP C=CCCn1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nn1 ZINC000653670915 481400122 /nfs/dbraw/zinc/40/01/22/481400122.db2.gz SJPNNVGNPDRLCT-UHFFFAOYSA-N 2 2 348.454 2.725 10 30 EFEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987397 481673310 /nfs/dbraw/zinc/67/33/10/481673310.db2.gz CXWUITDPZCRRTM-SFHVURJKSA-N 2 2 333.520 2.916 10 30 EFEELP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693672 481908342 /nfs/dbraw/zinc/90/83/42/481908342.db2.gz ZLCDXLMYBLHEEU-MOPGFXCFSA-N 3 2 328.504 2.928 10 30 EFEELP C=CC[C@@]1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCC[NH2+]1 ZINC000662675056 481927897 /nfs/dbraw/zinc/92/78/97/481927897.db2.gz INOVCZVSGVBPMA-FQEVSTJZSA-N 2 2 342.487 2.777 10 30 EFEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000187679169 534083844 /nfs/dbraw/zinc/08/38/44/534083844.db2.gz DVRSOXHQOLXMQN-FXAWDEMLSA-N 2 2 326.488 2.721 10 30 EFEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000187679169 534083859 /nfs/dbraw/zinc/08/38/59/534083859.db2.gz DVRSOXHQOLXMQN-FXAWDEMLSA-N 2 2 326.488 2.721 10 30 EFEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515623 526154127 /nfs/dbraw/zinc/15/41/27/526154127.db2.gz XCVOUJCLLZOMLX-NVXWUHKLSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515623 526154133 /nfs/dbraw/zinc/15/41/33/526154133.db2.gz XCVOUJCLLZOMLX-NVXWUHKLSA-N 2 2 349.438 2.714 10 30 EFEELP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734212 526164128 /nfs/dbraw/zinc/16/41/28/526164128.db2.gz UGFCRDLCPBJIRF-MRXNPFEDSA-N 2 2 340.471 2.693 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000153320028 526586282 /nfs/dbraw/zinc/58/62/82/526586282.db2.gz HMPHYXROQXJSTG-FUHWJXTLSA-N 2 2 345.491 2.516 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000153319705 526586977 /nfs/dbraw/zinc/58/69/77/526586977.db2.gz HMPHYXROQXJSTG-AEFFLSMTSA-N 2 2 345.491 2.516 10 30 EFEELP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000237769974 527169033 /nfs/dbraw/zinc/16/90/33/527169033.db2.gz SIUIWTSLOOMBDM-UHFFFAOYSA-N 2 2 330.395 2.654 10 30 EFEELP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000755661332 575614841 /nfs/dbraw/zinc/61/48/41/575614841.db2.gz HHPIJXXGFAFURR-MOPGFXCFSA-N 2 2 328.456 2.710 10 30 EFEELP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000755661332 575614845 /nfs/dbraw/zinc/61/48/45/575614845.db2.gz HHPIJXXGFAFURR-MOPGFXCFSA-N 2 2 328.456 2.710 10 30 EFEELP CN(Cc1c[nH+]c2ccc(C#N)cn12)c1ccc(OCC[NH+](C)C)cc1 ZINC000761220651 576131435 /nfs/dbraw/zinc/13/14/35/576131435.db2.gz IFQGPZWDIHCODL-UHFFFAOYSA-N 2 2 349.438 2.783 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001691380044 1248712771 /nfs/dbraw/zinc/71/27/71/1248712771.db2.gz GPAIMJUSTCFTLX-VYDXJSESSA-N 2 2 332.492 2.832 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691386552 1248722557 /nfs/dbraw/zinc/72/25/57/1248722557.db2.gz XZWPCWYSNQNAJW-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691386552 1248722565 /nfs/dbraw/zinc/72/25/65/1248722565.db2.gz XZWPCWYSNQNAJW-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691401635 1248741416 /nfs/dbraw/zinc/74/14/16/1248741416.db2.gz RJVAHJCBWDHMGS-FGTMMUONSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691086497 1248383702 /nfs/dbraw/zinc/38/37/02/1248383702.db2.gz RQKFUSRTLQBLPP-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691086497 1248383715 /nfs/dbraw/zinc/38/37/15/1248383715.db2.gz RQKFUSRTLQBLPP-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484340848 1252427180 /nfs/dbraw/zinc/42/71/80/1252427180.db2.gz ARSMYOZFNKEVQA-CABCVRRESA-N 2 2 326.444 2.969 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001484812497 1253020836 /nfs/dbraw/zinc/02/08/36/1253020836.db2.gz ASNMJKCCWDFBRS-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001671045408 1259938916 /nfs/dbraw/zinc/93/89/16/1259938916.db2.gz UXOWOZCKUUWFMA-FQEVSTJZSA-N 2 2 344.503 2.968 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001671045408 1259938921 /nfs/dbraw/zinc/93/89/21/1259938921.db2.gz UXOWOZCKUUWFMA-FQEVSTJZSA-N 2 2 344.503 2.968 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001671045409 1259939040 /nfs/dbraw/zinc/93/90/40/1259939040.db2.gz UXOWOZCKUUWFMA-HXUWFJFHSA-N 2 2 344.503 2.968 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001671045409 1259939043 /nfs/dbraw/zinc/93/90/43/1259939043.db2.gz UXOWOZCKUUWFMA-HXUWFJFHSA-N 2 2 344.503 2.968 10 30 EFEELP C[NH2+]CCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923532014 1261859421 /nfs/dbraw/zinc/85/94/21/1261859421.db2.gz XHXADFHEOLGTQC-HTQZYQBOSA-N 2 2 340.258 2.699 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001486153879 1262710760 /nfs/dbraw/zinc/71/07/60/1262710760.db2.gz JHQJSUCEVAIEKV-IEBWSBKVSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001486153879 1262710763 /nfs/dbraw/zinc/71/07/63/1262710763.db2.gz JHQJSUCEVAIEKV-IEBWSBKVSA-N 2 2 330.476 2.743 10 30 EFEELP C#CCC[N@@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001486373541 1262974234 /nfs/dbraw/zinc/97/42/34/1262974234.db2.gz XUKKHRXOUVRWFO-UHFFFAOYSA-N 2 2 338.455 2.678 10 30 EFEELP C#CCC[N@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001486373541 1262974236 /nfs/dbraw/zinc/97/42/36/1262974236.db2.gz XUKKHRXOUVRWFO-UHFFFAOYSA-N 2 2 338.455 2.678 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001486400750 1263047341 /nfs/dbraw/zinc/04/73/41/1263047341.db2.gz DXMGPXWDTYPFHT-SJORKVTESA-N 2 2 332.492 2.614 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001486446909 1263133966 /nfs/dbraw/zinc/13/39/66/1263133966.db2.gz GJHYRPUGHUIQAE-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)C[NH2+]C1(CNC(=O)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001486452255 1263163528 /nfs/dbraw/zinc/16/35/28/1263163528.db2.gz XXCXSHCVYPGPCM-UHFFFAOYSA-N 2 2 341.499 2.713 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001411192853 1271797431 /nfs/dbraw/zinc/79/74/31/1271797431.db2.gz AOTKZNLKVPBWDV-MRXNPFEDSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001411192853 1271797440 /nfs/dbraw/zinc/79/74/40/1271797440.db2.gz AOTKZNLKVPBWDV-MRXNPFEDSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001411192853 1271797446 /nfs/dbraw/zinc/79/74/46/1271797446.db2.gz AOTKZNLKVPBWDV-MRXNPFEDSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001411192853 1271797453 /nfs/dbraw/zinc/79/74/53/1271797453.db2.gz AOTKZNLKVPBWDV-MRXNPFEDSA-N 2 2 329.916 2.782 10 30 EFEELP C=C[C@H](COC)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178536970 1288808274 /nfs/dbraw/zinc/80/82/74/1288808274.db2.gz FUTXKMFPBANUDS-OAHLLOKOSA-N 2 2 335.835 2.906 10 30 EFEELP C=CCCC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001277681589 1312732954 /nfs/dbraw/zinc/73/29/54/1312732954.db2.gz DNAUKSBOCWHTBZ-IBGZPJMESA-N 2 2 329.488 2.788 10 30 EFEELP C=CCCC[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001277681589 1312732959 /nfs/dbraw/zinc/73/29/59/1312732959.db2.gz DNAUKSBOCWHTBZ-IBGZPJMESA-N 2 2 329.488 2.788 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001277746182 1312826642 /nfs/dbraw/zinc/82/66/42/1312826642.db2.gz BBAIFMBEQYTLBP-WBVHZDCISA-N 2 2 331.460 2.568 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001276327244 1292784498 /nfs/dbraw/zinc/78/44/98/1292784498.db2.gz SOWOWUGFTMFINI-FUHWJXTLSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001276327244 1292784506 /nfs/dbraw/zinc/78/45/06/1292784506.db2.gz SOWOWUGFTMFINI-FUHWJXTLSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001276327244 1292784517 /nfs/dbraw/zinc/78/45/17/1292784517.db2.gz SOWOWUGFTMFINI-FUHWJXTLSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001276327244 1292784527 /nfs/dbraw/zinc/78/45/27/1292784527.db2.gz SOWOWUGFTMFINI-FUHWJXTLSA-N 2 2 332.492 2.915 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001273790015 1295805028 /nfs/dbraw/zinc/80/50/28/1295805028.db2.gz OOXZGQAHFNMFHJ-IAGOWNOFSA-N 2 2 344.503 2.851 10 30 EFEELP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001277893264 1313193571 /nfs/dbraw/zinc/19/35/71/1313193571.db2.gz IMYBRJANTDFRTH-INIZCTEOSA-N 2 2 326.444 2.889 10 30 EFEELP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000925095263 1296797443 /nfs/dbraw/zinc/79/74/43/1296797443.db2.gz STPQFMURHAFZJP-BEFAXECRSA-N 2 2 343.471 2.805 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001277969421 1313388241 /nfs/dbraw/zinc/38/82/41/1313388241.db2.gz SKLCAMPIHGYGRC-SJORKVTESA-N 2 2 342.487 2.976 10 30 EFEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001489230807 1298143625 /nfs/dbraw/zinc/14/36/25/1298143625.db2.gz FXZVDPNSNGHBGL-KRWDZBQOSA-N 2 2 331.460 2.570 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001489337204 1298187922 /nfs/dbraw/zinc/18/79/22/1298187922.db2.gz BGEHPCFQISKSPP-RCCFBDPRSA-N 2 2 344.503 2.803 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001489337204 1298187926 /nfs/dbraw/zinc/18/79/26/1298187926.db2.gz BGEHPCFQISKSPP-RCCFBDPRSA-N 2 2 344.503 2.803 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440113 1298864650 /nfs/dbraw/zinc/86/46/50/1298864650.db2.gz KTKQEUKMWYZHHX-IRXDYDNUSA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440113 1298864666 /nfs/dbraw/zinc/86/46/66/1298864666.db2.gz KTKQEUKMWYZHHX-IRXDYDNUSA-N 2 2 332.492 2.862 10 30 EFEELP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001490617060 1299045212 /nfs/dbraw/zinc/04/52/12/1299045212.db2.gz IWLAGLXCAQNMPT-QGZVFWFLSA-N 2 2 344.503 2.725 10 30 EFEELP C#CCOCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000851848433 1299432733 /nfs/dbraw/zinc/43/27/33/1299432733.db2.gz LSHKXXGFERLDDV-UHFFFAOYSA-N 2 2 344.503 2.849 10 30 EFEELP C#CCOCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000851848433 1299432739 /nfs/dbraw/zinc/43/27/39/1299432739.db2.gz LSHKXXGFERLDDV-UHFFFAOYSA-N 2 2 344.503 2.849 10 30 EFEELP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1O ZINC000866300997 1303595288 /nfs/dbraw/zinc/59/52/88/1303595288.db2.gz YDJJDSSEBVVGOL-BZUAXINKSA-N 2 2 331.460 2.804 10 30 EFEELP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001490808555 1303984496 /nfs/dbraw/zinc/98/44/96/1303984496.db2.gz GEOGPEPEFDAKQS-KDURUIRLSA-N 2 2 346.519 2.998 10 30 EFEELP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001490808555 1303984502 /nfs/dbraw/zinc/98/45/02/1303984502.db2.gz GEOGPEPEFDAKQS-KDURUIRLSA-N 2 2 346.519 2.998 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000901172217 1309688847 /nfs/dbraw/zinc/68/88/47/1309688847.db2.gz APARACHTRAKCST-IBGZPJMESA-N 2 2 340.471 2.865 10 30 EFEELP C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC ZINC000901706854 1310915439 /nfs/dbraw/zinc/91/54/39/1310915439.db2.gz SEGAQTPYBNEZLH-WCIQWLHISA-N 2 2 342.483 2.994 10 30 EFEELP C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC ZINC000901706854 1310915444 /nfs/dbraw/zinc/91/54/44/1310915444.db2.gz SEGAQTPYBNEZLH-WCIQWLHISA-N 2 2 342.483 2.994 10 30 EFEELP C=CC[C@H]([NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC ZINC000901706852 1310915642 /nfs/dbraw/zinc/91/56/42/1310915642.db2.gz SEGAQTPYBNEZLH-FYQPLNBISA-N 2 2 342.483 2.994 10 30 EFEELP C=CC[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC ZINC000901706852 1310915652 /nfs/dbraw/zinc/91/56/52/1310915652.db2.gz SEGAQTPYBNEZLH-FYQPLNBISA-N 2 2 342.483 2.994 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001284181883 1320255174 /nfs/dbraw/zinc/25/51/74/1320255174.db2.gz ZIORTFXZQQNLFO-IAGOWNOFSA-N 2 2 344.503 2.603 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001277019786 1311475843 /nfs/dbraw/zinc/47/58/43/1311475843.db2.gz PDSMAEMWTKWSGE-SAABIXHNSA-N 2 2 338.455 2.937 10 30 EFEELP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(C#N)ccn1 ZINC000902790394 1312109927 /nfs/dbraw/zinc/10/99/27/1312109927.db2.gz QFOFBRDKFJLDIJ-LAUBAEHRSA-N 2 2 349.482 2.593 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001277539500 1312528512 /nfs/dbraw/zinc/52/85/12/1312528512.db2.gz WNPLLGMXXKBKSG-HXUWFJFHSA-N 2 2 346.519 2.857 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001277539500 1312528515 /nfs/dbraw/zinc/52/85/15/1312528515.db2.gz WNPLLGMXXKBKSG-HXUWFJFHSA-N 2 2 346.519 2.857 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001276740240 1314951533 /nfs/dbraw/zinc/95/15/33/1314951533.db2.gz OFUPCRVSCVPNGN-WMZOPIPTSA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278664363 1315446889 /nfs/dbraw/zinc/44/68/89/1315446889.db2.gz XNXXHFMOPKLDJT-FQEVSTJZSA-N 2 2 344.503 2.556 10 30 EFEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278664363 1315446893 /nfs/dbraw/zinc/44/68/93/1315446893.db2.gz XNXXHFMOPKLDJT-FQEVSTJZSA-N 2 2 344.503 2.556 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668049 1315453901 /nfs/dbraw/zinc/45/39/01/1315453901.db2.gz KEPIYCNLVKAJLO-FXAWDEMLSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668049 1315453903 /nfs/dbraw/zinc/45/39/03/1315453903.db2.gz KEPIYCNLVKAJLO-FXAWDEMLSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278678447 1315492814 /nfs/dbraw/zinc/49/28/14/1315492814.db2.gz RQEZXBPLPNLATH-HLIPFELVSA-N 2 2 344.503 2.708 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278678447 1315492818 /nfs/dbraw/zinc/49/28/18/1315492818.db2.gz RQEZXBPLPNLATH-HLIPFELVSA-N 2 2 344.503 2.708 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001263998170 1316579056 /nfs/dbraw/zinc/57/90/56/1316579056.db2.gz SQJNSNYQADJWFR-SJORKVTESA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001264195228 1316599523 /nfs/dbraw/zinc/59/95/23/1316599523.db2.gz ONBPAOYBWDHZFL-INIZCTEOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001264195228 1316599526 /nfs/dbraw/zinc/59/95/26/1316599526.db2.gz ONBPAOYBWDHZFL-INIZCTEOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001264195229 1316599769 /nfs/dbraw/zinc/59/97/69/1316599769.db2.gz ONBPAOYBWDHZFL-MRXNPFEDSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC(C)(C)C1 ZINC001264195229 1316599771 /nfs/dbraw/zinc/59/97/71/1316599771.db2.gz ONBPAOYBWDHZFL-MRXNPFEDSA-N 2 2 332.492 2.536 10 30 EFEELP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264446517 1316617258 /nfs/dbraw/zinc/61/72/58/1316617258.db2.gz BETDHEXROOOAJN-YTQUADARSA-N 2 2 338.455 2.604 10 30 EFEELP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264446517 1316617261 /nfs/dbraw/zinc/61/72/61/1316617261.db2.gz BETDHEXROOOAJN-YTQUADARSA-N 2 2 338.455 2.604 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001264741510 1316663583 /nfs/dbraw/zinc/66/35/83/1316663583.db2.gz DSWQDWGTNDWWNJ-KRWDZBQOSA-N 2 2 332.492 2.632 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001264741510 1316663587 /nfs/dbraw/zinc/66/35/87/1316663587.db2.gz DSWQDWGTNDWWNJ-KRWDZBQOSA-N 2 2 332.492 2.632 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001265086269 1316716608 /nfs/dbraw/zinc/71/66/08/1316716608.db2.gz PQBNGGYZXSWLKZ-AEFFLSMTSA-N 2 2 345.487 2.958 10 30 EFEELP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001265341132 1316785862 /nfs/dbraw/zinc/78/58/62/1316785862.db2.gz KUJCHBNKZWWATP-QZTJIDSGSA-N 2 2 344.503 2.803 10 30 EFEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265393003 1316797098 /nfs/dbraw/zinc/79/70/98/1316797098.db2.gz PZXAMOSHVGTBPW-INIZCTEOSA-N 2 2 326.444 2.694 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265393003 1316797099 /nfs/dbraw/zinc/79/70/99/1316797099.db2.gz PZXAMOSHVGTBPW-INIZCTEOSA-N 2 2 326.444 2.694 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001318647046 1328660944 /nfs/dbraw/zinc/66/09/44/1328660944.db2.gz SMHDABMJDMZZKO-UHFFFAOYSA-N 2 2 326.444 2.933 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265584522 1316828879 /nfs/dbraw/zinc/82/88/79/1316828879.db2.gz OTBFSTZPLMTUGW-KRWDZBQOSA-N 2 2 344.503 2.556 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265584522 1316828880 /nfs/dbraw/zinc/82/88/80/1316828880.db2.gz OTBFSTZPLMTUGW-KRWDZBQOSA-N 2 2 344.503 2.556 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001265673439 1316850787 /nfs/dbraw/zinc/85/07/87/1316850787.db2.gz FWDPCMXSKIIEQC-WMZOPIPTSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCOCC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001265737138 1316868980 /nfs/dbraw/zinc/86/89/80/1316868980.db2.gz APDCHHNWFQSAPR-UHFFFAOYSA-N 2 2 345.487 2.840 10 30 EFEELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001265875061 1316900206 /nfs/dbraw/zinc/90/02/06/1316900206.db2.gz VITHTTNGMXJHIG-UHFFFAOYSA-N 2 2 347.422 2.686 10 30 EFEELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001265875061 1316900207 /nfs/dbraw/zinc/90/02/07/1316900207.db2.gz VITHTTNGMXJHIG-UHFFFAOYSA-N 2 2 347.422 2.686 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001266009908 1316950237 /nfs/dbraw/zinc/95/02/37/1316950237.db2.gz BBTUFRSEFSQRJY-WMZOPIPTSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266055727 1316982032 /nfs/dbraw/zinc/98/20/32/1316982032.db2.gz IWTPJEJXALKEKF-SJORKVTESA-N 2 2 344.503 2.745 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266102028 1317035438 /nfs/dbraw/zinc/03/54/38/1317035438.db2.gz ARRJYGMXEDVYKO-WMZOPIPTSA-N 2 2 345.487 2.910 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266102028 1317035446 /nfs/dbraw/zinc/03/54/46/1317035446.db2.gz ARRJYGMXEDVYKO-WMZOPIPTSA-N 2 2 345.487 2.910 10 30 EFEELP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266219973 1317160496 /nfs/dbraw/zinc/16/04/96/1317160496.db2.gz LWIPHBKCMAWPOH-RTBURBONSA-N 2 2 344.503 2.854 10 30 EFEELP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266219973 1317160500 /nfs/dbraw/zinc/16/05/00/1317160500.db2.gz LWIPHBKCMAWPOH-RTBURBONSA-N 2 2 344.503 2.854 10 30 EFEELP C=C(C)C[NH2+]C[C@@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@H]1C ZINC001318742289 1328682555 /nfs/dbraw/zinc/68/25/55/1328682555.db2.gz BGENJCSMULHNBR-APWZRJJASA-N 2 2 332.492 2.584 10 30 EFEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001280082795 1317448582 /nfs/dbraw/zinc/44/85/82/1317448582.db2.gz FZNRZQLHNSNOIK-ROUUACIJSA-N 2 2 332.492 2.875 10 30 EFEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001280353857 1317518128 /nfs/dbraw/zinc/51/81/28/1317518128.db2.gz CLRLLCRGYVAWBK-IAGOWNOFSA-N 2 2 338.455 2.825 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001318976312 1328753981 /nfs/dbraw/zinc/75/39/81/1328753981.db2.gz LODAJDOJQFYURN-QAETUUGQSA-N 2 2 332.492 2.960 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001318976312 1328753984 /nfs/dbraw/zinc/75/39/84/1328753984.db2.gz LODAJDOJQFYURN-QAETUUGQSA-N 2 2 332.492 2.960 10 30 EFEELP C=CCC[NH2+]C1(C)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001281519179 1318400027 /nfs/dbraw/zinc/40/00/27/1318400027.db2.gz KIVGGGNHTXJSRU-UHFFFAOYSA-N 2 2 340.471 2.732 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281554288 1318444322 /nfs/dbraw/zinc/44/43/22/1318444322.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281554288 1318444325 /nfs/dbraw/zinc/44/43/25/1318444325.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281554288 1318444335 /nfs/dbraw/zinc/44/43/35/1318444335.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281554288 1318444339 /nfs/dbraw/zinc/44/43/39/1318444339.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001281554270 1318444427 /nfs/dbraw/zinc/44/44/27/1318444427.db2.gz AUCVNUGLYBLEOV-IRXDYDNUSA-N 2 2 346.519 2.924 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001281554270 1318444432 /nfs/dbraw/zinc/44/44/32/1318444432.db2.gz AUCVNUGLYBLEOV-IRXDYDNUSA-N 2 2 346.519 2.924 10 30 EFEELP C=CC[NH+]1CCC(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001319027527 1328767021 /nfs/dbraw/zinc/76/70/21/1328767021.db2.gz NEAPJBQRVABREH-SFHVURJKSA-N 2 2 332.492 2.875 10 30 EFEELP C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001281777079 1318577786 /nfs/dbraw/zinc/57/77/86/1318577786.db2.gz JCLAXVFGZMGKSI-IBGZPJMESA-N 2 2 338.455 2.565 10 30 EFEELP C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001281777079 1318577794 /nfs/dbraw/zinc/57/77/94/1318577794.db2.gz JCLAXVFGZMGKSI-IBGZPJMESA-N 2 2 338.455 2.565 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001281796381 1318587176 /nfs/dbraw/zinc/58/71/76/1318587176.db2.gz VLOSIDQSVFFFRD-GOSISDBHSA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001282201549 1318779809 /nfs/dbraw/zinc/77/98/09/1318779809.db2.gz JFPCNQYVWLKMPC-HZPDHXFCSA-N 2 2 328.460 2.634 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001282666223 1319059159 /nfs/dbraw/zinc/05/91/59/1319059159.db2.gz QAEKGLSYKFHLQJ-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001282666223 1319059168 /nfs/dbraw/zinc/05/91/68/1319059168.db2.gz QAEKGLSYKFHLQJ-ROUUACIJSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001284096619 1320191614 /nfs/dbraw/zinc/19/16/14/1320191614.db2.gz NOYMZFKDHWZIML-IXDOHACOSA-N 2 2 344.503 2.870 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001284292047 1320306519 /nfs/dbraw/zinc/30/65/19/1320306519.db2.gz COPVZHZIMZJSKT-KRWDZBQOSA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCCCC1 ZINC001319663150 1328942746 /nfs/dbraw/zinc/94/27/46/1328942746.db2.gz LWJGBTACFAUVJN-SFHVURJKSA-N 2 2 332.492 2.584 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001319808895 1328998841 /nfs/dbraw/zinc/99/88/41/1328998841.db2.gz LRYYQZUKNBXHKF-DLBZAZTESA-N 2 2 345.487 2.816 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319850862 1329013616 /nfs/dbraw/zinc/01/36/16/1329013616.db2.gz UNHPGORTEHCXML-KDOFPFPSSA-N 2 2 326.444 2.969 10 30 EFEELP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001491814696 1323910274 /nfs/dbraw/zinc/91/02/74/1323910274.db2.gz ROERQLDIETVBBP-ROUUACIJSA-N 2 2 346.519 2.854 10 30 EFEELP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308165933 1324797091 /nfs/dbraw/zinc/79/70/91/1324797091.db2.gz RUFXXKKCLMBPDK-HZPDHXFCSA-N 2 2 330.476 2.604 10 30 EFEELP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1=O ZINC001308165933 1324797097 /nfs/dbraw/zinc/79/70/97/1324797097.db2.gz RUFXXKKCLMBPDK-HZPDHXFCSA-N 2 2 330.476 2.604 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC001308792828 1324840431 /nfs/dbraw/zinc/84/04/31/1324840431.db2.gz MDEAVOVRHKMNCG-UHFFFAOYSA-N 2 2 340.423 2.778 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC001308792828 1324840438 /nfs/dbraw/zinc/84/04/38/1324840438.db2.gz MDEAVOVRHKMNCG-UHFFFAOYSA-N 2 2 340.423 2.778 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316699034 1324991673 /nfs/dbraw/zinc/99/16/73/1324991673.db2.gz CHOPGBIZVFGJOX-YYIAUSFCSA-N 2 2 330.476 2.696 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316699034 1324991676 /nfs/dbraw/zinc/99/16/76/1324991676.db2.gz CHOPGBIZVFGJOX-YYIAUSFCSA-N 2 2 330.476 2.696 10 30 EFEELP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001316715536 1325032678 /nfs/dbraw/zinc/03/26/78/1325032678.db2.gz VWHZYWNSMWJXSZ-CEXWTWQISA-N 2 2 344.503 2.854 10 30 EFEELP C#CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316769210 1325121958 /nfs/dbraw/zinc/12/19/58/1325121958.db2.gz HAUXACDWJMJPFX-SFHVURJKSA-N 2 2 338.455 2.640 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001316804742 1325152541 /nfs/dbraw/zinc/15/25/41/1325152541.db2.gz COZLLNZAKFSRPV-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001316804742 1325152547 /nfs/dbraw/zinc/15/25/47/1325152547.db2.gz COZLLNZAKFSRPV-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001316805133 1325153221 /nfs/dbraw/zinc/15/32/21/1325153221.db2.gz OPRNBKBJHBLIKT-MJGOQNOKSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001316805133 1325153231 /nfs/dbraw/zinc/15/32/31/1325153231.db2.gz OPRNBKBJHBLIKT-MJGOQNOKSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001316805132 1325153409 /nfs/dbraw/zinc/15/34/09/1325153409.db2.gz OPRNBKBJHBLIKT-HKUYNNGSSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001316805132 1325153417 /nfs/dbraw/zinc/15/34/17/1325153417.db2.gz OPRNBKBJHBLIKT-HKUYNNGSSA-N 2 2 344.503 2.725 10 30 EFEELP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317037717 1325503804 /nfs/dbraw/zinc/50/38/04/1325503804.db2.gz YDXTWPGPXLIDHT-INIZCTEOSA-N 2 2 326.444 2.613 10 30 EFEELP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317037717 1325503811 /nfs/dbraw/zinc/50/38/11/1325503811.db2.gz YDXTWPGPXLIDHT-INIZCTEOSA-N 2 2 326.444 2.613 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317045822 1325515617 /nfs/dbraw/zinc/51/56/17/1325515617.db2.gz RQWVCOBCBYZOEE-RDJZCZTQSA-N 2 2 332.492 2.786 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317045822 1325515618 /nfs/dbraw/zinc/51/56/18/1325515618.db2.gz RQWVCOBCBYZOEE-RDJZCZTQSA-N 2 2 332.492 2.786 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001317103914 1325572194 /nfs/dbraw/zinc/57/21/94/1325572194.db2.gz HNRKQUTWXAFSNS-MSOLQXFVSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001317103914 1325572199 /nfs/dbraw/zinc/57/21/99/1325572199.db2.gz HNRKQUTWXAFSNS-MSOLQXFVSA-N 2 2 344.503 2.632 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317428702 1328002562 /nfs/dbraw/zinc/00/25/62/1328002562.db2.gz SSQYJOQWZFOYEY-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317428702 1328002570 /nfs/dbraw/zinc/00/25/70/1328002570.db2.gz SSQYJOQWZFOYEY-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317527904 1328114867 /nfs/dbraw/zinc/11/48/67/1328114867.db2.gz PSAQMIXFPKWKNK-QZTJIDSGSA-N 2 2 346.519 2.854 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317527904 1328114869 /nfs/dbraw/zinc/11/48/69/1328114869.db2.gz PSAQMIXFPKWKNK-QZTJIDSGSA-N 2 2 346.519 2.854 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317935849 1328447522 /nfs/dbraw/zinc/44/75/22/1328447522.db2.gz KELCRPLKRDYJJL-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317935849 1328447527 /nfs/dbraw/zinc/44/75/27/1328447527.db2.gz KELCRPLKRDYJJL-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317936780 1328448279 /nfs/dbraw/zinc/44/82/79/1328448279.db2.gz ZBOONORCIMNIOX-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317936780 1328448285 /nfs/dbraw/zinc/44/82/85/1328448285.db2.gz ZBOONORCIMNIOX-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001322347515 1329450294 /nfs/dbraw/zinc/45/02/94/1329450294.db2.gz SZNYPFYWDKWJKD-HOTGVXAUSA-N 2 2 326.444 2.789 10 30 EFEELP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC ZINC001323157175 1329518117 /nfs/dbraw/zinc/51/81/17/1329518117.db2.gz BMORWESDTUANGE-CVEARBPZSA-N 2 2 332.492 2.870 10 30 EFEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001324726846 1329654349 /nfs/dbraw/zinc/65/43/49/1329654349.db2.gz DLZGSBCELXYOND-HXUWFJFHSA-N 2 2 344.503 2.556 10 30 EFEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1CC ZINC001325365127 1329683310 /nfs/dbraw/zinc/68/33/10/1329683310.db2.gz GXSKSKZRMGFLNT-SFHVURJKSA-N 2 2 326.444 2.538 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001326725429 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328.460 2.588 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001332024818 1330906393 /nfs/dbraw/zinc/90/63/93/1330906393.db2.gz KTLDYCCABBHEAH-UHFFFAOYSA-N 2 2 330.472 2.984 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001332276278 1330951635 /nfs/dbraw/zinc/95/16/35/1330951635.db2.gz BHHIAZQJMSVCPZ-CVEARBPZSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001332310920 1330956273 /nfs/dbraw/zinc/95/62/73/1330956273.db2.gz QJEUKCILTJLIQO-IAGOWNOFSA-N 2 2 340.471 2.636 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001332396173 1330967230 /nfs/dbraw/zinc/96/72/30/1330967230.db2.gz BWGGWGVILXGAFS-INIZCTEOSA-N 2 2 326.444 2.741 10 30 EFEELP C[C@@H]1CC(=NNCCCn2cc[nH+]c2)C[N@@H+](Cc2ccccc2)C1 ZINC000848417153 1334713239 /nfs/dbraw/zinc/71/32/39/1334713239.db2.gz MPRZMGLGVNOBBE-QGZVFWFLSA-N 2 2 325.460 2.761 10 30 EFEELP C[C@@H]1CC(=NNCCCn2cc[nH+]c2)C[N@H+](Cc2ccccc2)C1 ZINC000848417153 1334713244 /nfs/dbraw/zinc/71/32/44/1334713244.db2.gz MPRZMGLGVNOBBE-QGZVFWFLSA-N 2 2 325.460 2.761 10 30 EFEELP C[C@H]1CC(=NNCCCn2cc[nH+]c2)C[N@@H+](Cc2ccccc2)C1 ZINC000848417152 1334713404 /nfs/dbraw/zinc/71/34/04/1334713404.db2.gz MPRZMGLGVNOBBE-KRWDZBQOSA-N 2 2 325.460 2.761 10 30 EFEELP C[C@H]1CC(=NNCCCn2cc[nH+]c2)C[N@H+](Cc2ccccc2)C1 ZINC000848417152 1334713405 /nfs/dbraw/zinc/71/34/05/1334713405.db2.gz MPRZMGLGVNOBBE-KRWDZBQOSA-N 2 2 325.460 2.761 10 30 EFEELP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cn1 ZINC000848620888 1334815056 /nfs/dbraw/zinc/81/50/56/1334815056.db2.gz HFLMWJUSMHKLDF-CQSZACIVSA-N 2 2 337.387 2.710 10 30 EFEELP CCCC[NH+]=C(NCCc1cn(C)c[nH+]1)NCc1ccc(C)cc1 ZINC000849110050 1335552985 /nfs/dbraw/zinc/55/29/85/1335552985.db2.gz PYAJOYFPIUWHNS-UHFFFAOYSA-N 2 2 327.476 2.807 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001368342895 1339307406 /nfs/dbraw/zinc/30/74/06/1339307406.db2.gz TWISTEJCKHQKJL-HUUCEWRRSA-N 2 2 338.883 2.506 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001368342893 1339307694 /nfs/dbraw/zinc/30/76/94/1339307694.db2.gz TWISTEJCKHQKJL-CABCVRRESA-N 2 2 338.883 2.506 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001377621048 1344230101 /nfs/dbraw/zinc/23/01/01/1344230101.db2.gz KPOBQRFQBMCQOG-SJORKVTESA-N 2 2 335.879 2.670 10 30 EFEELP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001377621048 1344230105 /nfs/dbraw/zinc/23/01/05/1344230105.db2.gz KPOBQRFQBMCQOG-SJORKVTESA-N 2 2 335.879 2.670 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001377621031 1344230175 /nfs/dbraw/zinc/23/01/75/1344230175.db2.gz KPOBQRFQBMCQOG-DLBZAZTESA-N 2 2 335.879 2.670 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001377621031 1344230178 /nfs/dbraw/zinc/23/01/78/1344230178.db2.gz KPOBQRFQBMCQOG-DLBZAZTESA-N 2 2 335.879 2.670 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001381515772 1348324648 /nfs/dbraw/zinc/32/46/48/1348324648.db2.gz KYVQFTYBXNABPD-HOTGVXAUSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001381515772 1348324652 /nfs/dbraw/zinc/32/46/52/1348324652.db2.gz KYVQFTYBXNABPD-HOTGVXAUSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001381515772 1348324655 /nfs/dbraw/zinc/32/46/55/1348324655.db2.gz KYVQFTYBXNABPD-HOTGVXAUSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001381515772 1348324658 /nfs/dbraw/zinc/32/46/58/1348324658.db2.gz KYVQFTYBXNABPD-HOTGVXAUSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001381869634 1348580601 /nfs/dbraw/zinc/58/06/01/1348580601.db2.gz GQLOYUBYVMYARC-AWEZNQCLSA-N 2 2 329.916 2.543 10 30 EFEELP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001381869634 1348580602 /nfs/dbraw/zinc/58/06/02/1348580602.db2.gz GQLOYUBYVMYARC-AWEZNQCLSA-N 2 2 329.916 2.543 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001381869634 1348580605 /nfs/dbraw/zinc/58/06/05/1348580605.db2.gz GQLOYUBYVMYARC-AWEZNQCLSA-N 2 2 329.916 2.543 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001394270266 1357654462 /nfs/dbraw/zinc/65/44/62/1357654462.db2.gz XRSICRZIQSAYKV-QAPCUYQASA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001394270266 1357654464 /nfs/dbraw/zinc/65/44/64/1357654464.db2.gz XRSICRZIQSAYKV-QAPCUYQASA-N 2 2 349.906 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001398468362 1360584436 /nfs/dbraw/zinc/58/44/36/1360584436.db2.gz FPJCDXHALSQJKV-HOTGVXAUSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001398468362 1360584441 /nfs/dbraw/zinc/58/44/41/1360584441.db2.gz FPJCDXHALSQJKV-HOTGVXAUSA-N 2 2 338.883 2.757 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001400128156 1361761892 /nfs/dbraw/zinc/76/18/92/1361761892.db2.gz KEDDZVXUMKMMLU-SJORKVTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001400128156 1361761894 /nfs/dbraw/zinc/76/18/94/1361761894.db2.gz KEDDZVXUMKMMLU-SJORKVTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001400128156 1361761895 /nfs/dbraw/zinc/76/18/95/1361761895.db2.gz KEDDZVXUMKMMLU-SJORKVTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001400128156 1361761897 /nfs/dbraw/zinc/76/18/97/1361761897.db2.gz KEDDZVXUMKMMLU-SJORKVTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001402097615 1363404208 /nfs/dbraw/zinc/40/42/08/1363404208.db2.gz LZNSOIWHNFSNRI-ZBFHGGJFSA-N 2 2 338.883 2.851 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001405185610 1366095531 /nfs/dbraw/zinc/09/55/31/1366095531.db2.gz OZCQSMIXAQAMMK-IRXDYDNUSA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001405185610 1366095535 /nfs/dbraw/zinc/09/55/35/1366095535.db2.gz OZCQSMIXAQAMMK-IRXDYDNUSA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001437888946 1388179558 /nfs/dbraw/zinc/17/95/58/1388179558.db2.gz GLPZVNDXIQNMCV-SJORKVTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001437888946 1388179562 /nfs/dbraw/zinc/17/95/62/1388179562.db2.gz GLPZVNDXIQNMCV-SJORKVTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001437888946 1388179563 /nfs/dbraw/zinc/17/95/63/1388179563.db2.gz GLPZVNDXIQNMCV-SJORKVTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001437888946 1388179568 /nfs/dbraw/zinc/17/95/68/1388179568.db2.gz GLPZVNDXIQNMCV-SJORKVTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001437888933 1388179943 /nfs/dbraw/zinc/17/99/43/1388179943.db2.gz GLPZVNDXIQNMCV-IAGOWNOFSA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001437888933 1388179950 /nfs/dbraw/zinc/17/99/50/1388179950.db2.gz GLPZVNDXIQNMCV-IAGOWNOFSA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001437888933 1388179953 /nfs/dbraw/zinc/17/99/53/1388179953.db2.gz GLPZVNDXIQNMCV-IAGOWNOFSA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001437888933 1388179961 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LRKWCNZOTVGHKY-HZPDHXFCSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001422758863 1380766874 /nfs/dbraw/zinc/76/68/74/1380766874.db2.gz CVQKFSZSXQIZQI-WBVHZDCISA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001422758857 1380766986 /nfs/dbraw/zinc/76/69/86/1380766986.db2.gz CVQKFSZSXQIZQI-NVXWUHKLSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001423674260 1382265353 /nfs/dbraw/zinc/26/53/53/1382265353.db2.gz PEUDZEKTWLJFNC-UYSNPLJNSA-N 2 2 338.883 2.802 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001440219917 1389450137 /nfs/dbraw/zinc/45/01/37/1389450137.db2.gz RQUVDVRPFQPNIU-SFHVURJKSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001440219917 1389450139 /nfs/dbraw/zinc/45/01/39/1389450139.db2.gz RQUVDVRPFQPNIU-SFHVURJKSA-N 2 2 349.906 2.971 10 30 EFEELP 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MSPRTITUIITQOX-DLBZAZTESA-N 2 2 346.519 2.852 10 30 EFEELP C=CCC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001675458439 1106362167 /nfs/dbraw/zinc/36/21/67/1106362167.db2.gz KWOAMNXTVKMDHK-IRXDYDNUSA-N 2 2 332.492 2.873 10 30 EFEELP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001675458439 1106362172 /nfs/dbraw/zinc/36/21/72/1106362172.db2.gz KWOAMNXTVKMDHK-IRXDYDNUSA-N 2 2 332.492 2.873 10 30 EFEELP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001675458437 1106362510 /nfs/dbraw/zinc/36/25/10/1106362510.db2.gz KWOAMNXTVKMDHK-DLBZAZTESA-N 2 2 332.492 2.873 10 30 EFEELP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001675458437 1106362513 /nfs/dbraw/zinc/36/25/13/1106362513.db2.gz KWOAMNXTVKMDHK-DLBZAZTESA-N 2 2 332.492 2.873 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001675641541 1106401290 /nfs/dbraw/zinc/40/12/90/1106401290.db2.gz ACICWKPPJQRAHO-RCCFBDPRSA-N 2 2 344.503 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C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001483804088 1112472313 /nfs/dbraw/zinc/47/23/13/1112472313.db2.gz FFTAURFLMYJZDJ-AYHJJNSGSA-N 2 2 344.503 2.821 10 30 EFEELP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001483810608 1112477985 /nfs/dbraw/zinc/47/79/85/1112477985.db2.gz ZRZCLLIOUBZDGT-SQNIBIBYSA-N 2 2 330.476 2.722 10 30 EFEELP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001483810608 1112477988 /nfs/dbraw/zinc/47/79/88/1112477988.db2.gz ZRZCLLIOUBZDGT-SQNIBIBYSA-N 2 2 330.476 2.722 10 30 EFEELP C#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001483816790 1112485835 /nfs/dbraw/zinc/48/58/35/1112485835.db2.gz NYVQVRGABWXJAH-UHFFFAOYSA-N 2 2 336.439 2.513 10 30 EFEELP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001483816790 1112485836 /nfs/dbraw/zinc/48/58/36/1112485836.db2.gz NYVQVRGABWXJAH-UHFFFAOYSA-N 2 2 336.439 2.513 10 30 EFEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987585 1112632650 /nfs/dbraw/zinc/63/26/50/1112632650.db2.gz WGADPZONXNRMST-SFHVURJKSA-N 2 2 342.487 2.727 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001484559696 1113013640 /nfs/dbraw/zinc/01/36/40/1113013640.db2.gz UTJHRCADMVPYBI-CRAIPNDOSA-N 2 2 338.455 2.599 10 30 EFEELP C=C(Cl)C[NH+]1CCc2c(CNC(=O)C[N@H+](C)CCC)cccc2C1 ZINC001484612073 1113054294 /nfs/dbraw/zinc/05/42/94/1113054294.db2.gz GIJDCVLCLMZGOV-UHFFFAOYSA-N 2 2 349.906 2.755 10 30 EFEELP C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001484612073 1113054296 /nfs/dbraw/zinc/05/42/96/1113054296.db2.gz GIJDCVLCLMZGOV-UHFFFAOYSA-N 2 2 349.906 2.755 10 30 EFEELP C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C[NH+](C)CCC)cccc2C1 ZINC001484612073 1113054300 /nfs/dbraw/zinc/05/43/00/1113054300.db2.gz GIJDCVLCLMZGOV-UHFFFAOYSA-N 2 2 349.906 2.755 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001484747831 1113131523 /nfs/dbraw/zinc/13/15/23/1113131523.db2.gz NUPGAENXXGYGCK-IRXDYDNUSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001484747831 1113131525 /nfs/dbraw/zinc/13/15/25/1113131525.db2.gz NUPGAENXXGYGCK-IRXDYDNUSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001484943124 1117869001 /nfs/dbraw/zinc/86/90/01/1117869001.db2.gz VDZOEHNIHNZEQG-QGZVFWFLSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001484943124 1117869004 /nfs/dbraw/zinc/86/90/04/1117869004.db2.gz VDZOEHNIHNZEQG-QGZVFWFLSA-N 2 2 332.492 2.536 10 30 EFEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001272701027 1118604578 /nfs/dbraw/zinc/60/45/78/1118604578.db2.gz RUFKEBDSUCABHM-HOTGVXAUSA-N 2 2 338.455 2.579 10 30 EFEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001272701027 1118604579 /nfs/dbraw/zinc/60/45/79/1118604579.db2.gz RUFKEBDSUCABHM-HOTGVXAUSA-N 2 2 338.455 2.579 10 30 EFEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001272701025 1118604759 /nfs/dbraw/zinc/60/47/59/1118604759.db2.gz RUFKEBDSUCABHM-CVEARBPZSA-N 2 2 338.455 2.579 10 30 EFEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001272701025 1118604761 /nfs/dbraw/zinc/60/47/61/1118604761.db2.gz RUFKEBDSUCABHM-CVEARBPZSA-N 2 2 338.455 2.579 10 30 EFEELP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940747703 1118625424 /nfs/dbraw/zinc/62/54/24/1118625424.db2.gz MRLVFGVMUXLPQR-INIZCTEOSA-N 2 2 326.444 2.659 10 30 EFEELP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940747703 1118625426 /nfs/dbraw/zinc/62/54/26/1118625426.db2.gz MRLVFGVMUXLPQR-INIZCTEOSA-N 2 2 326.444 2.659 10 30 EFEELP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001272726786 1119543895 /nfs/dbraw/zinc/54/38/95/1119543895.db2.gz JELPTLRLTUTQIU-SAABIXHNSA-N 2 2 338.455 2.544 10 30 EFEELP CCc1nc(CNC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000159991680 529735499 /nfs/dbraw/zinc/73/54/99/529735499.db2.gz KJGBITIMJPJUFC-DZGCQCFKSA-N 2 2 346.504 2.561 10 30 EFEELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1C ZINC000173528183 239193477 /nfs/dbraw/zinc/19/34/77/239193477.db2.gz NZVBEQZBGRPGKD-LSDHHAIUSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1C ZINC000173528183 239193481 /nfs/dbraw/zinc/19/34/81/239193481.db2.gz NZVBEQZBGRPGKD-LSDHHAIUSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528183 239193486 /nfs/dbraw/zinc/19/34/86/239193486.db2.gz NZVBEQZBGRPGKD-LSDHHAIUSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)CC[NH+]1C ZINC000173528183 239193490 /nfs/dbraw/zinc/19/34/90/239193490.db2.gz NZVBEQZBGRPGKD-LSDHHAIUSA-N 2 2 346.500 2.655 10 30 EFEELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191975951 240018223 /nfs/dbraw/zinc/01/82/23/240018223.db2.gz INTUGPASGBSVKT-WOJBJXKFSA-N 2 2 325.500 2.529 10 30 EFEELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328652988 241210010 /nfs/dbraw/zinc/21/00/10/241210010.db2.gz KUKAABPATRAHCE-ZACQAIPSSA-N 2 2 345.491 2.542 10 30 EFEELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328652988 241210013 /nfs/dbraw/zinc/21/00/13/241210013.db2.gz KUKAABPATRAHCE-ZACQAIPSSA-N 2 2 345.491 2.542 10 30 EFEELP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000425385803 247068037 /nfs/dbraw/zinc/06/80/37/247068037.db2.gz SFGLBGRYGFECFM-UHFFFAOYSA-N 2 2 325.460 2.899 10 30 EFEELP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000434624718 248170649 /nfs/dbraw/zinc/17/06/49/248170649.db2.gz RCXZSFPCXACNGJ-LJQANCHMSA-N 2 2 343.471 2.826 10 30 EFEELP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155160597 285038712 /nfs/dbraw/zinc/03/87/12/285038712.db2.gz YXFVGWVSSKQSMX-RTBURBONSA-N 2 2 348.535 2.583 10 30 EFEELP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155160597 285038717 /nfs/dbraw/zinc/03/87/17/285038717.db2.gz YXFVGWVSSKQSMX-RTBURBONSA-N 2 2 348.535 2.583 10 30 EFEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000181934890 533051017 /nfs/dbraw/zinc/05/10/17/533051017.db2.gz RACIWNATBZPIPY-WMLDXEAASA-N 2 2 336.443 2.710 10 30 EFEELP C=CCc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(OC)c1OCC ZINC000013736590 257837130 /nfs/dbraw/zinc/83/71/30/257837130.db2.gz GLZGKPMPMMEZTB-UHFFFAOYSA-N 2 2 348.487 2.634 10 30 EFEELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 ZINC000328647251 258022193 /nfs/dbraw/zinc/02/21/93/258022193.db2.gz TWBYOUDNHSSMQA-HNAYVOBHSA-N 2 2 341.459 2.790 10 30 EFEELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 ZINC000328647251 258022195 /nfs/dbraw/zinc/02/21/95/258022195.db2.gz TWBYOUDNHSSMQA-HNAYVOBHSA-N 2 2 341.459 2.790 10 30 EFEELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 ZINC000328647251 258022197 /nfs/dbraw/zinc/02/21/97/258022197.db2.gz TWBYOUDNHSSMQA-HNAYVOBHSA-N 2 2 341.459 2.790 10 30 EFEELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 ZINC000328647251 258022199 /nfs/dbraw/zinc/02/21/99/258022199.db2.gz TWBYOUDNHSSMQA-HNAYVOBHSA-N 2 2 341.459 2.790 10 30 EFEELP C[NH+]=C(NCCOC1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262017258 533477871 /nfs/dbraw/zinc/47/78/71/533477871.db2.gz YAYHIMYOHBOGDA-FUHWJXTLSA-N 2 2 347.507 2.691 10 30 EFEELP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000349370581 142325595 /nfs/dbraw/zinc/32/55/95/142325595.db2.gz RJEKGKYNZPUMDH-WCRBZPEASA-N 2 2 338.499 2.610 10 30 EFEELP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N ZINC000349370581 142325597 /nfs/dbraw/zinc/32/55/97/142325597.db2.gz RJEKGKYNZPUMDH-WCRBZPEASA-N 2 2 338.499 2.610 10 30 EFEELP C[NH+](C)CCN(Cc1cccs1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000349276504 146073885 /nfs/dbraw/zinc/07/38/85/146073885.db2.gz JTTDWYMTJGPSJW-UHFFFAOYSA-N 2 2 339.468 2.831 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453263229 270028862 /nfs/dbraw/zinc/02/88/62/270028862.db2.gz LIIQKWIOMSJCDJ-ICSRJNTNSA-N 2 2 327.472 2.762 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453263229 270028864 /nfs/dbraw/zinc/02/88/64/270028864.db2.gz LIIQKWIOMSJCDJ-ICSRJNTNSA-N 2 2 327.472 2.762 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292251354 267135767 /nfs/dbraw/zinc/13/57/67/267135767.db2.gz XSADPSJLMOCXKK-FZKQIMNGSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292251354 267135769 /nfs/dbraw/zinc/13/57/69/267135769.db2.gz XSADPSJLMOCXKK-FZKQIMNGSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292251354 267135772 /nfs/dbraw/zinc/13/57/72/267135772.db2.gz XSADPSJLMOCXKK-FZKQIMNGSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292251354 267135774 /nfs/dbraw/zinc/13/57/74/267135774.db2.gz XSADPSJLMOCXKK-FZKQIMNGSA-N 2 2 346.862 2.566 10 30 EFEELP Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301764982 267339073 /nfs/dbraw/zinc/33/90/73/267339073.db2.gz HBRSAPUHWMCJLD-UHFFFAOYSA-N 2 2 336.439 2.771 10 30 EFEELP Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(C#N)c(C)[nH+]1 ZINC000301897564 267348775 /nfs/dbraw/zinc/34/87/75/267348775.db2.gz VYAMEASWYLLLDV-UHFFFAOYSA-N 2 2 325.416 2.518 10 30 EFEELP CC[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261949364 275802198 /nfs/dbraw/zinc/80/21/98/275802198.db2.gz GWISKNRWVWTQGZ-MRXNPFEDSA-N 2 2 330.476 2.550 10 30 EFEELP C[C@]1([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+](Cc2ccccc2)C1 ZINC000566352680 319065697 /nfs/dbraw/zinc/06/56/97/319065697.db2.gz XFRPKZXSWVJDPE-NRFANRHFSA-N 2 2 345.450 2.960 10 30 EFEELP C[C@]1([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000566352680 319065699 /nfs/dbraw/zinc/06/56/99/319065699.db2.gz XFRPKZXSWVJDPE-NRFANRHFSA-N 2 2 345.450 2.960 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000568634875 319303744 /nfs/dbraw/zinc/30/37/44/319303744.db2.gz UUDYHHKKTVELGF-INIZCTEOSA-N 2 2 328.416 2.774 10 30 EFEELP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000568634875 319303745 /nfs/dbraw/zinc/30/37/45/319303745.db2.gz UUDYHHKKTVELGF-INIZCTEOSA-N 2 2 328.416 2.774 10 30 EFEELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000118397877 472495853 /nfs/dbraw/zinc/49/58/53/472495853.db2.gz YGNCKWYFYHINFY-YOEHRIQHSA-N 2 2 336.443 2.710 10 30 EFEELP Cn1cc[nH+]c1N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000089926838 472548242 /nfs/dbraw/zinc/54/82/42/472548242.db2.gz RILYDSCPMPWXML-UHFFFAOYSA-N 2 2 348.372 2.613 10 30 EFEELP C[C@H]1C[N@@H+](C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)CCO1 ZINC000155675840 472593280 /nfs/dbraw/zinc/59/32/80/472593280.db2.gz BODFXYKNUCNKDD-KRWDZBQOSA-N 2 2 343.471 2.512 10 30 EFEELP C[C@H]1C[N@H+](C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)CCO1 ZINC000155675840 472593289 /nfs/dbraw/zinc/59/32/89/472593289.db2.gz BODFXYKNUCNKDD-KRWDZBQOSA-N 2 2 343.471 2.512 10 30 EFEELP Clc1ccccc1C#CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134992730 473003852 /nfs/dbraw/zinc/00/38/52/473003852.db2.gz KNDYDBKOEZNTRH-UHFFFAOYSA-N 2 2 332.875 2.736 10 30 EFEELP C=CCOc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093147400 473052628 /nfs/dbraw/zinc/05/26/28/473052628.db2.gz NLAFYNXAJGEOQJ-HXUWFJFHSA-N 2 2 343.515 2.853 10 30 EFEELP C=CCOc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093147400 473052632 /nfs/dbraw/zinc/05/26/32/473052632.db2.gz NLAFYNXAJGEOQJ-HXUWFJFHSA-N 2 2 343.515 2.853 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203546 473980506 /nfs/dbraw/zinc/98/05/06/473980506.db2.gz XLZFCRCTRXVFHL-QGZVFWFLSA-N 2 2 342.487 2.599 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203546 473980515 /nfs/dbraw/zinc/98/05/15/473980515.db2.gz XLZFCRCTRXVFHL-QGZVFWFLSA-N 2 2 342.487 2.599 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203540 473980666 /nfs/dbraw/zinc/98/06/66/473980666.db2.gz XLZFCRCTRXVFHL-KRWDZBQOSA-N 2 2 342.487 2.599 10 30 EFEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203540 473980673 /nfs/dbraw/zinc/98/06/73/473980673.db2.gz XLZFCRCTRXVFHL-KRWDZBQOSA-N 2 2 342.487 2.599 10 30 EFEELP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282477545 474081297 /nfs/dbraw/zinc/08/12/97/474081297.db2.gz PWMPAGIOSSLADM-FQEVSTJZSA-N 2 2 349.482 2.923 10 30 EFEELP N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000266754722 474471209 /nfs/dbraw/zinc/47/12/09/474471209.db2.gz OUOIQTPYYFSULM-UHFFFAOYSA-N 2 2 334.383 2.711 10 30 EFEELP CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000242147519 474558200 /nfs/dbraw/zinc/55/82/00/474558200.db2.gz WSKAPUJRFIQVSA-KRWDZBQOSA-N 2 2 339.439 2.822 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000284275883 474608270 /nfs/dbraw/zinc/60/82/70/474608270.db2.gz NCNHXHGYRDEIRY-CTNGQTDRSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000284275883 474608273 /nfs/dbraw/zinc/60/82/73/474608273.db2.gz NCNHXHGYRDEIRY-CTNGQTDRSA-N 2 2 348.450 2.922 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292069429 474829721 /nfs/dbraw/zinc/82/97/21/474829721.db2.gz DKWXIWMGSQVBCH-APWZRJJASA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292069429 474829734 /nfs/dbraw/zinc/82/97/34/474829734.db2.gz DKWXIWMGSQVBCH-APWZRJJASA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292069429 474829752 /nfs/dbraw/zinc/82/97/52/474829752.db2.gz DKWXIWMGSQVBCH-APWZRJJASA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292069429 474829760 /nfs/dbraw/zinc/82/97/60/474829760.db2.gz DKWXIWMGSQVBCH-APWZRJJASA-N 2 2 347.528 2.679 10 30 EFEELP C=C1CC[NH+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000342186357 475570951 /nfs/dbraw/zinc/57/09/51/475570951.db2.gz UTWBENFKLNPCIU-GOSISDBHSA-N 2 2 327.472 2.544 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)n2c1 ZINC000343158660 475818333 /nfs/dbraw/zinc/81/83/33/475818333.db2.gz MNJMFGOWKAWSNP-UHFFFAOYSA-N 2 2 342.406 2.741 10 30 EFEELP CN(C)c1nc(N2CC[NH+](CCC3(C#N)CCCCC3)CC2)cc[nH+]1 ZINC000411280931 477181167 /nfs/dbraw/zinc/18/11/67/477181167.db2.gz GQMHGMBOWWMJBO-UHFFFAOYSA-N 2 2 342.491 2.529 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420409500 477754198 /nfs/dbraw/zinc/75/41/98/477754198.db2.gz XBTDSFDPEBLQFC-IEBWSBKVSA-N 2 2 329.488 2.938 10 30 EFEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420409500 477754200 /nfs/dbraw/zinc/75/42/00/477754200.db2.gz XBTDSFDPEBLQFC-IEBWSBKVSA-N 2 2 329.488 2.938 10 30 EFEELP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCCCC#N ZINC000368082329 477783836 /nfs/dbraw/zinc/78/38/36/477783836.db2.gz VIYZPUVPUOSYEV-OAHLLOKOSA-N 2 2 340.427 2.748 10 30 EFEELP COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OCCCC#N ZINC000368082329 477783846 /nfs/dbraw/zinc/78/38/46/477783846.db2.gz VIYZPUVPUOSYEV-OAHLLOKOSA-N 2 2 340.427 2.748 10 30 EFEELP N#CCCn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccccc2)n1 ZINC000368089258 477784088 /nfs/dbraw/zinc/78/40/88/477784088.db2.gz KVQAGCICUCXZNO-KRWDZBQOSA-N 2 2 346.438 2.834 10 30 EFEELP N#CCCn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccccc2)n1 ZINC000368089258 477784094 /nfs/dbraw/zinc/78/40/94/477784094.db2.gz KVQAGCICUCXZNO-KRWDZBQOSA-N 2 2 346.438 2.834 10 30 EFEELP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000459307873 477831320 /nfs/dbraw/zinc/83/13/20/477831320.db2.gz SWBFTOQZNZLIJS-UHFFFAOYSA-N 2 2 328.416 2.774 10 30 EFEELP C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987781 478420083 /nfs/dbraw/zinc/42/00/83/478420083.db2.gz MWCIYUMXICAVLM-YLJYHZDGSA-N 2 2 345.918 2.649 10 30 EFEELP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218052 478486542 /nfs/dbraw/zinc/48/65/42/478486542.db2.gz VHDWDZLLDHUAOO-MRXNPFEDSA-N 2 2 328.416 2.630 10 30 EFEELP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218052 478486547 /nfs/dbraw/zinc/48/65/47/478486547.db2.gz VHDWDZLLDHUAOO-MRXNPFEDSA-N 2 2 328.416 2.630 10 30 EFEELP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218052 478486552 /nfs/dbraw/zinc/48/65/52/478486552.db2.gz VHDWDZLLDHUAOO-MRXNPFEDSA-N 2 2 328.416 2.630 10 30 EFEELP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563218052 478486565 /nfs/dbraw/zinc/48/65/65/478486565.db2.gz VHDWDZLLDHUAOO-MRXNPFEDSA-N 2 2 328.416 2.630 10 30 EFEELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC1 ZINC000600740886 478499444 /nfs/dbraw/zinc/49/94/44/478499444.db2.gz XHHUOPGJKGOGCG-SFHVURJKSA-N 2 2 327.472 2.685 10 30 EFEELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC1 ZINC000600740886 478499452 /nfs/dbraw/zinc/49/94/52/478499452.db2.gz XHHUOPGJKGOGCG-SFHVURJKSA-N 2 2 327.472 2.685 10 30 EFEELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000594967589 478610499 /nfs/dbraw/zinc/61/04/99/478610499.db2.gz UEKXXBUSFOFWAR-IBGZPJMESA-N 2 2 326.488 2.989 10 30 EFEELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000594967589 478610507 /nfs/dbraw/zinc/61/05/07/478610507.db2.gz UEKXXBUSFOFWAR-IBGZPJMESA-N 2 2 326.488 2.989 10 30 EFEELP N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000601125712 478673443 /nfs/dbraw/zinc/67/34/43/478673443.db2.gz QBENUBFKHFMPHG-HKUYNNGSSA-N 2 2 343.471 2.570 10 30 EFEELP N#Cc1cnccc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000592120789 478783893 /nfs/dbraw/zinc/78/38/93/478783893.db2.gz BDAYPUVPYUQASB-UHFFFAOYSA-N 2 2 329.407 2.824 10 30 EFEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865676 479040091 /nfs/dbraw/zinc/04/00/91/479040091.db2.gz ISQKHTFPLBSONZ-SFHVURJKSA-N 2 2 327.472 2.519 10 30 EFEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865676 479040096 /nfs/dbraw/zinc/04/00/96/479040096.db2.gz ISQKHTFPLBSONZ-SFHVURJKSA-N 2 2 327.472 2.519 10 30 EFEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000596651804 479372284 /nfs/dbraw/zinc/37/22/84/479372284.db2.gz NXLJERLYOXXBHL-VKZRIFJHSA-N 2 2 331.435 2.952 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000599664825 479378188 /nfs/dbraw/zinc/37/81/88/479378188.db2.gz QKJUIOVNLLJXHH-UHFFFAOYSA-N 2 2 327.472 2.829 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000599663047 479378478 /nfs/dbraw/zinc/37/84/78/479378478.db2.gz AQPJHLJKXKSXQG-UHFFFAOYSA-N 2 2 327.472 2.944 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515583 479402543 /nfs/dbraw/zinc/40/25/43/479402543.db2.gz FTEANOOSRADYFH-MOPGFXCFSA-N 2 2 349.438 2.587 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515583 479402548 /nfs/dbraw/zinc/40/25/48/479402548.db2.gz FTEANOOSRADYFH-MOPGFXCFSA-N 2 2 349.438 2.587 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576704343 479583234 /nfs/dbraw/zinc/58/32/34/479583234.db2.gz LQONJOZPNFBUSZ-QFBILLFUSA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576704343 479583241 /nfs/dbraw/zinc/58/32/41/479583241.db2.gz LQONJOZPNFBUSZ-QFBILLFUSA-N 2 2 347.528 2.727 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)c1 ZINC000597156070 479596923 /nfs/dbraw/zinc/59/69/23/479596923.db2.gz FEDVAXSBWCQOIT-WOJBJXKFSA-N 2 2 325.456 2.680 10 30 EFEELP Cc1nc(N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)cc[nH+]1 ZINC000614185875 480217892 /nfs/dbraw/zinc/21/78/92/480217892.db2.gz CCYIYKFOBGJWSE-UHFFFAOYSA-N 2 2 335.455 2.908 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598991 480325389 /nfs/dbraw/zinc/32/53/89/480325389.db2.gz ZHILABFCNAKYGV-ZYSHUDEJSA-N 2 2 347.528 2.583 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598991 480325397 /nfs/dbraw/zinc/32/53/97/480325397.db2.gz ZHILABFCNAKYGV-ZYSHUDEJSA-N 2 2 347.528 2.583 10 30 EFEELP C=CC[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638523632 480763742 /nfs/dbraw/zinc/76/37/42/480763742.db2.gz CPVCISMIWFCGBZ-UHFFFAOYSA-N 2 2 342.409 2.978 10 30 EFEELP C=CC[C@]1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCC[NH2+]1 ZINC000662675057 481927110 /nfs/dbraw/zinc/92/71/10/481927110.db2.gz INOVCZVSGVBPMA-HXUWFJFHSA-N 2 2 342.487 2.777 10 30 EFEELP C=CC[C@@]1(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CCC[NH2+]1 ZINC000662676442 481929206 /nfs/dbraw/zinc/92/92/06/481929206.db2.gz VSOWHHNNLOIZLX-FQEVSTJZSA-N 2 2 342.487 2.632 10 30 EFEELP C=CC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCC[NH2+]1 ZINC000662721757 481948261 /nfs/dbraw/zinc/94/82/61/481948261.db2.gz CUGBQRMYZYNFLM-FQEVSTJZSA-N 2 2 342.487 2.777 10 30 EFEELP C=CC[C@]1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662721543 481948511 /nfs/dbraw/zinc/94/85/11/481948511.db2.gz YISPQVGTRXHTND-OXJNMPFZSA-N 2 2 343.471 2.717 10 30 EFEELP C=CC[C@@]1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC[NH2+]1 ZINC000662810916 481980171 /nfs/dbraw/zinc/98/01/71/481980171.db2.gz UEBWIWPXMODTIW-IBGZPJMESA-N 2 2 347.890 2.513 10 30 EFEELP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC[NH2+]1 ZINC000662810916 481980174 /nfs/dbraw/zinc/98/01/74/481980174.db2.gz UEBWIWPXMODTIW-IBGZPJMESA-N 2 2 347.890 2.513 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660709691 482104549 /nfs/dbraw/zinc/10/45/49/482104549.db2.gz AERBENZKUFZRGS-ZHALLVOQSA-N 2 2 348.535 2.589 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660709691 482104552 /nfs/dbraw/zinc/10/45/52/482104552.db2.gz AERBENZKUFZRGS-ZHALLVOQSA-N 2 2 348.535 2.589 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660709694 482104580 /nfs/dbraw/zinc/10/45/80/482104580.db2.gz AERBENZKUFZRGS-ZIFCJYIRSA-N 2 2 348.535 2.589 10 30 EFEELP C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660709694 482104583 /nfs/dbraw/zinc/10/45/83/482104583.db2.gz AERBENZKUFZRGS-ZIFCJYIRSA-N 2 2 348.535 2.589 10 30 EFEELP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000177911145 526453629 /nfs/dbraw/zinc/45/36/29/526453629.db2.gz UPCDASZTHDTOCN-AWEZNQCLSA-N 2 2 331.460 2.955 10 30 EFEELP N#Cc1ccc(OCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000180178627 526674260 /nfs/dbraw/zinc/67/42/60/526674260.db2.gz DTGSJWAEBSGYGW-UHFFFAOYSA-N 2 2 341.377 2.943 10 30 EFEELP C=CCCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000658096784 547355172 /nfs/dbraw/zinc/35/51/72/547355172.db2.gz VMUKWAOLJWNXHO-UHFFFAOYSA-N 2 2 349.563 2.899 10 30 EFEELP C=CCCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000658096784 547355176 /nfs/dbraw/zinc/35/51/76/547355176.db2.gz VMUKWAOLJWNXHO-UHFFFAOYSA-N 2 2 349.563 2.899 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000772983984 581385662 /nfs/dbraw/zinc/38/56/62/581385662.db2.gz BPDXLHLNQCCMNS-QGTPRVQTSA-N 2 2 343.471 2.948 10 30 EFEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OC ZINC000772983984 581385663 /nfs/dbraw/zinc/38/56/63/581385663.db2.gz BPDXLHLNQCCMNS-QGTPRVQTSA-N 2 2 343.471 2.948 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691386550 1248721916 /nfs/dbraw/zinc/72/19/16/1248721916.db2.gz XZWPCWYSNQNAJW-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691386550 1248721925 /nfs/dbraw/zinc/72/19/25/1248721925.db2.gz XZWPCWYSNQNAJW-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001691470818 1249192281 /nfs/dbraw/zinc/19/22/81/1249192281.db2.gz VVBXKEIGUUHEKT-CALCHBBNSA-N 2 2 340.471 2.636 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001691274924 1248585794 /nfs/dbraw/zinc/58/57/94/1248585794.db2.gz HUSRGIWFTOHORX-GOSISDBHSA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001691302743 1248631354 /nfs/dbraw/zinc/63/13/54/1248631354.db2.gz ZPBFENYOUGXZBO-QZTJIDSGSA-N 2 2 332.492 2.846 10 30 EFEELP N#Cc1cccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665013 1251257083 /nfs/dbraw/zinc/25/70/83/1251257083.db2.gz ADZZJBZFBBZBPK-BDTNDASRSA-N 2 2 347.462 2.655 10 30 EFEELP N#Cc1cccc([C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665013 1251257093 /nfs/dbraw/zinc/25/70/93/1251257093.db2.gz ADZZJBZFBBZBPK-BDTNDASRSA-N 2 2 347.462 2.655 10 30 EFEELP N#Cc1cccc([C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665013 1251257105 /nfs/dbraw/zinc/25/71/05/1251257105.db2.gz ADZZJBZFBBZBPK-BDTNDASRSA-N 2 2 347.462 2.655 10 30 EFEELP N#Cc1cccc([C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000705665013 1251257109 /nfs/dbraw/zinc/25/71/09/1251257109.db2.gz ADZZJBZFBBZBPK-BDTNDASRSA-N 2 2 347.462 2.655 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691621017 1251839523 /nfs/dbraw/zinc/83/95/23/1251839523.db2.gz RHQIEVXUUDXKOL-BRWVUGGUSA-N 2 2 330.476 2.840 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001691621017 1251839531 /nfs/dbraw/zinc/83/95/31/1251839531.db2.gz RHQIEVXUUDXKOL-BRWVUGGUSA-N 2 2 330.476 2.840 10 30 EFEELP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C2 ZINC001484389814 1252496317 /nfs/dbraw/zinc/49/63/17/1252496317.db2.gz WDMUDNZWJTXRLZ-BCDXTJNWSA-N 2 2 344.503 2.678 10 30 EFEELP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C2 ZINC001484389814 1252496323 /nfs/dbraw/zinc/49/63/23/1252496323.db2.gz WDMUDNZWJTXRLZ-BCDXTJNWSA-N 2 2 344.503 2.678 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001484772245 1252944611 /nfs/dbraw/zinc/94/46/11/1252944611.db2.gz PHRPHEJMZKIVCC-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001484772245 1252944622 /nfs/dbraw/zinc/94/46/22/1252944622.db2.gz PHRPHEJMZKIVCC-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001484772246 1252944959 /nfs/dbraw/zinc/94/49/59/1252944959.db2.gz PHRPHEJMZKIVCC-OALUTQOASA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001484772246 1252944971 /nfs/dbraw/zinc/94/49/71/1252944971.db2.gz PHRPHEJMZKIVCC-OALUTQOASA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001670984990 1259313102 /nfs/dbraw/zinc/31/31/02/1259313102.db2.gz LHRRWACQIPQJSH-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001670984990 1259313112 /nfs/dbraw/zinc/31/31/12/1259313112.db2.gz LHRRWACQIPQJSH-UHFFFAOYSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039511 1259849177 /nfs/dbraw/zinc/84/91/77/1259849177.db2.gz OXLKLDHRMLNOAH-YLJYHZDGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001671039511 1259849183 /nfs/dbraw/zinc/84/91/83/1259849183.db2.gz OXLKLDHRMLNOAH-YLJYHZDGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039511 1259849191 /nfs/dbraw/zinc/84/91/91/1259849191.db2.gz OXLKLDHRMLNOAH-YLJYHZDGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001671039511 1259849200 /nfs/dbraw/zinc/84/92/00/1259849200.db2.gz OXLKLDHRMLNOAH-YLJYHZDGSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001671044256 1259932337 /nfs/dbraw/zinc/93/23/37/1259932337.db2.gz CPYDCQHMYMTOSA-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001671044256 1259932344 /nfs/dbraw/zinc/93/23/44/1259932344.db2.gz CPYDCQHMYMTOSA-HXUWFJFHSA-N 2 2 344.503 2.944 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001486149136 1262699331 /nfs/dbraw/zinc/69/93/31/1262699331.db2.gz VONUOTITXISGPS-ZIFCJYIRSA-N 2 2 330.476 2.914 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001486149136 1262699338 /nfs/dbraw/zinc/69/93/38/1262699338.db2.gz VONUOTITXISGPS-ZIFCJYIRSA-N 2 2 330.476 2.914 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001486153882 1262710906 /nfs/dbraw/zinc/71/09/06/1262710906.db2.gz JHQJSUCEVAIEKV-PKOBYXMFSA-N 2 2 330.476 2.743 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001486153882 1262710909 /nfs/dbraw/zinc/71/09/09/1262710909.db2.gz JHQJSUCEVAIEKV-PKOBYXMFSA-N 2 2 330.476 2.743 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001486166370 1262728040 /nfs/dbraw/zinc/72/80/40/1262728040.db2.gz JUTJRAVJJFGPET-CEXWTWQISA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001486401902 1263047974 /nfs/dbraw/zinc/04/79/74/1263047974.db2.gz BIGSAPHAWDIRRJ-HOTGVXAUSA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001486438334 1263122642 /nfs/dbraw/zinc/12/26/42/1263122642.db2.gz FQOJTAKPGBDEOQ-MRXNPFEDSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001486522030 1263321642 /nfs/dbraw/zinc/32/16/42/1263321642.db2.gz VCTIRFHXEYLLFG-GOSISDBHSA-N 2 2 347.890 2.790 10 30 EFEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001486522030 1263321650 /nfs/dbraw/zinc/32/16/50/1263321650.db2.gz VCTIRFHXEYLLFG-GOSISDBHSA-N 2 2 347.890 2.790 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001671059025 1269660862 /nfs/dbraw/zinc/66/08/62/1269660862.db2.gz AGASCNDSLIVBIF-KRWDZBQOSA-N 2 2 330.476 2.552 10 30 EFEELP C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000873198143 1289637302 /nfs/dbraw/zinc/63/73/02/1289637302.db2.gz SSQNNVUVLPIJPY-KESTWPANSA-N 2 2 342.483 2.679 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873227598 1289659581 /nfs/dbraw/zinc/65/95/81/1289659581.db2.gz LTIAWYMEORNOFI-ZIAGYGMSSA-N 2 2 344.377 2.829 10 30 EFEELP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873227598 1289659592 /nfs/dbraw/zinc/65/95/92/1289659592.db2.gz LTIAWYMEORNOFI-ZIAGYGMSSA-N 2 2 344.377 2.829 10 30 EFEELP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228619 1289662131 /nfs/dbraw/zinc/66/21/31/1289662131.db2.gz UVKPPOBVYQDIGX-KGLIPLIRSA-N 2 2 344.377 2.698 10 30 EFEELP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228619 1289662145 /nfs/dbraw/zinc/66/21/45/1289662145.db2.gz UVKPPOBVYQDIGX-KGLIPLIRSA-N 2 2 344.377 2.698 10 30 EFEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000876710432 1290986765 /nfs/dbraw/zinc/98/67/65/1290986765.db2.gz KKVMPKRJBHNRQS-GFCCVEGCSA-N 2 2 328.869 2.537 10 30 EFEELP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001276312898 1292723183 /nfs/dbraw/zinc/72/31/83/1292723183.db2.gz VYNCBSGOAVCWDB-OALUTQOASA-N 2 2 344.503 2.854 10 30 EFEELP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001276312898 1292723190 /nfs/dbraw/zinc/72/31/90/1292723190.db2.gz VYNCBSGOAVCWDB-OALUTQOASA-N 2 2 344.503 2.854 10 30 EFEELP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001273763407 1294954220 /nfs/dbraw/zinc/95/42/20/1294954220.db2.gz VDGSUVTUNUDPCB-GOSISDBHSA-N 2 2 344.503 2.854 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001275048209 1296224235 /nfs/dbraw/zinc/22/42/35/1296224235.db2.gz CGMGAHRQNUCORU-WMZOPIPTSA-N 2 2 332.492 2.678 10 30 EFEELP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000925095264 1296797735 /nfs/dbraw/zinc/79/77/35/1296797735.db2.gz STPQFMURHAFZJP-DNVCBOLYSA-N 2 2 343.471 2.805 10 30 EFEELP C=CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C(=O)OCC ZINC001205849146 1313365866 /nfs/dbraw/zinc/36/58/66/1313365866.db2.gz MPIYXTRZPQAUQC-TVRKMHQQSA-N 2 2 338.492 2.507 10 30 EFEELP C=CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903980659 1313531448 /nfs/dbraw/zinc/53/14/48/1313531448.db2.gz XJSZKMWRFCGUFE-BGYRXZFFSA-N 2 2 341.499 2.652 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903980659 1313531452 /nfs/dbraw/zinc/53/14/52/1313531452.db2.gz XJSZKMWRFCGUFE-BGYRXZFFSA-N 2 2 341.499 2.652 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440112 1298863407 /nfs/dbraw/zinc/86/34/07/1298863407.db2.gz KTKQEUKMWYZHHX-IAGOWNOFSA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440112 1298863419 /nfs/dbraw/zinc/86/34/19/1298863419.db2.gz KTKQEUKMWYZHHX-IAGOWNOFSA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001490687932 1299139335 /nfs/dbraw/zinc/13/93/35/1299139335.db2.gz WINDGAWNULFPQD-GDBMZVCRSA-N 2 2 326.444 2.787 10 30 EFEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490766121 1299214489 /nfs/dbraw/zinc/21/44/89/1299214489.db2.gz KKGHIKZEFAQLGL-KRWDZBQOSA-N 2 2 332.492 2.673 10 30 EFEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490766121 1299214500 /nfs/dbraw/zinc/21/45/00/1299214500.db2.gz KKGHIKZEFAQLGL-KRWDZBQOSA-N 2 2 332.492 2.673 10 30 EFEELP C#CCCCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000779965998 1300102159 /nfs/dbraw/zinc/10/21/59/1300102159.db2.gz ZBGUWXUWNYKTAM-UHFFFAOYSA-N 2 2 333.520 2.637 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618180 1303712875 /nfs/dbraw/zinc/71/28/75/1303712875.db2.gz WQMGOOKMYHLOHW-URZJWIJPSA-N 2 2 346.478 2.921 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618180 1303712880 /nfs/dbraw/zinc/71/28/80/1303712880.db2.gz WQMGOOKMYHLOHW-URZJWIJPSA-N 2 2 346.478 2.921 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001490809779 1304003706 /nfs/dbraw/zinc/00/37/06/1304003706.db2.gz WJIBEACQNNNDJM-CALCHBBNSA-N 2 2 330.476 2.682 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001490809779 1304003712 /nfs/dbraw/zinc/00/37/12/1304003712.db2.gz WJIBEACQNNNDJM-CALCHBBNSA-N 2 2 330.476 2.682 10 30 EFEELP C=C(CC[NH+](C)C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000900894578 1308848624 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ZINC001325365125 1329683078 /nfs/dbraw/zinc/68/30/78/1329683078.db2.gz GXSKSKZRMGFLNT-GOSISDBHSA-N 2 2 326.444 2.538 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001325449466 1329688996 /nfs/dbraw/zinc/68/89/96/1329688996.db2.gz KQRBCLLHONXPOF-IAGOWNOFSA-N 2 2 340.471 2.588 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001325529754 1329694758 /nfs/dbraw/zinc/69/47/58/1329694758.db2.gz FSJCKJNMXUHZDZ-RDJZCZTQSA-N 2 2 332.492 2.577 10 30 EFEELP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325942062 1329726840 /nfs/dbraw/zinc/72/68/40/1329726840.db2.gz FOFROXWKFFDTCW-GBESFXJTSA-N 2 2 344.503 2.969 10 30 EFEELP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325942062 1329726841 /nfs/dbraw/zinc/72/68/41/1329726841.db2.gz FOFROXWKFFDTCW-GBESFXJTSA-N 2 2 344.503 2.969 10 30 EFEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001326480763 1329759611 /nfs/dbraw/zinc/75/96/11/1329759611.db2.gz NHULNMSYFCQGTN-IRXDYDNUSA-N 2 2 338.455 2.825 10 30 EFEELP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001326480762 1329759798 /nfs/dbraw/zinc/75/97/98/1329759798.db2.gz NHULNMSYFCQGTN-IAGOWNOFSA-N 2 2 338.455 2.825 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001327163869 1330434149 /nfs/dbraw/zinc/43/41/49/1330434149.db2.gz QPGCWYMRWDLAEB-QGZVFWFLSA-N 2 2 334.508 2.904 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001327163869 1330434152 /nfs/dbraw/zinc/43/41/52/1330434152.db2.gz QPGCWYMRWDLAEB-QGZVFWFLSA-N 2 2 334.508 2.904 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001327163865 1330434208 /nfs/dbraw/zinc/43/42/08/1330434208.db2.gz QPGCWYMRWDLAEB-KRWDZBQOSA-N 2 2 334.508 2.904 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001327163865 1330434210 /nfs/dbraw/zinc/43/42/10/1330434210.db2.gz QPGCWYMRWDLAEB-KRWDZBQOSA-N 2 2 334.508 2.904 10 30 EFEELP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001327307910 1330456366 /nfs/dbraw/zinc/45/63/66/1330456366.db2.gz HCTVJHMFWMJAOE-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001327307910 1330456370 /nfs/dbraw/zinc/45/63/70/1330456370.db2.gz HCTVJHMFWMJAOE-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001327532797 1330496355 /nfs/dbraw/zinc/49/63/55/1330496355.db2.gz ZVNDPQWJPYUCIU-HLIPFELVSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001327532797 1330496357 /nfs/dbraw/zinc/49/63/57/1330496357.db2.gz ZVNDPQWJPYUCIU-HLIPFELVSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001327532797 1330496359 /nfs/dbraw/zinc/49/63/59/1330496359.db2.gz ZVNDPQWJPYUCIU-HLIPFELVSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001327532797 1330496361 /nfs/dbraw/zinc/49/63/61/1330496361.db2.gz ZVNDPQWJPYUCIU-HLIPFELVSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001328281377 1330581135 /nfs/dbraw/zinc/58/11/35/1330581135.db2.gz CGNBCFJMGJSYES-IAGOWNOFSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001328281377 1330581137 /nfs/dbraw/zinc/58/11/37/1330581137.db2.gz CGNBCFJMGJSYES-IAGOWNOFSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328736680 1330623408 /nfs/dbraw/zinc/62/34/08/1330623408.db2.gz LJEXTIPURALWFP-KRWDZBQOSA-N 2 2 326.444 2.755 10 30 EFEELP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328736680 1330623411 /nfs/dbraw/zinc/62/34/11/1330623411.db2.gz LJEXTIPURALWFP-KRWDZBQOSA-N 2 2 326.444 2.755 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778553 1330630327 /nfs/dbraw/zinc/63/03/27/1330630327.db2.gz AHDIDXKGSJNRKO-JKSUJKDBSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001328778553 1330630330 /nfs/dbraw/zinc/63/03/30/1330630330.db2.gz AHDIDXKGSJNRKO-JKSUJKDBSA-N 2 2 332.492 2.965 10 30 EFEELP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001329317059 1330693450 /nfs/dbraw/zinc/69/34/50/1330693450.db2.gz NWWDVSNGPCSWCW-UHFFFAOYSA-N 2 2 328.460 2.988 10 30 EFEELP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001329742360 1330732979 /nfs/dbraw/zinc/73/29/79/1330732979.db2.gz MYTANOYSCBOYJZ-PKOBYXMFSA-N 2 2 346.519 2.874 10 30 EFEELP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329922778 1330751218 /nfs/dbraw/zinc/75/12/18/1330751218.db2.gz FYITWRFANATLCJ-KRWDZBQOSA-N 2 2 332.492 2.864 10 30 EFEELP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329922778 1330751220 /nfs/dbraw/zinc/75/12/20/1330751220.db2.gz FYITWRFANATLCJ-KRWDZBQOSA-N 2 2 332.492 2.864 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331028914 1330784792 /nfs/dbraw/zinc/78/47/92/1330784792.db2.gz DNVSKXNQBHZRES-IAGOWNOFSA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331028914 1330784795 /nfs/dbraw/zinc/78/47/95/1330784795.db2.gz DNVSKXNQBHZRES-IAGOWNOFSA-N 2 2 344.503 2.723 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331296736 1330818089 /nfs/dbraw/zinc/81/80/89/1330818089.db2.gz PGJWUMZBRCLXEB-QGZVFWFLSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001332396174 1330967155 /nfs/dbraw/zinc/96/71/55/1330967155.db2.gz BWGGWGVILXGAFS-MRXNPFEDSA-N 2 2 326.444 2.741 10 30 EFEELP C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC001333066665 1331074069 /nfs/dbraw/zinc/07/40/69/1331074069.db2.gz LCICLVFORMFLCT-BWPNAZKDSA-N 2 2 334.504 2.521 10 30 EFEELP C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC001333066665 1331074072 /nfs/dbraw/zinc/07/40/72/1331074072.db2.gz LCICLVFORMFLCT-BWPNAZKDSA-N 2 2 334.504 2.521 10 30 EFEELP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001333083787 1331076168 /nfs/dbraw/zinc/07/61/68/1331076168.db2.gz ZJHFXUDHPHMILG-WWDZGPRUSA-N 2 2 346.519 2.995 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001333180093 1331089292 /nfs/dbraw/zinc/08/92/92/1331089292.db2.gz NPNAKRMTSJQPRF-HNNXBMFYSA-N 2 2 330.476 2.668 10 30 EFEELP CC(=NNCCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848419547 1334715236 /nfs/dbraw/zinc/71/52/36/1334715236.db2.gz YTTBMJLKGNLJFY-LJQANCHMSA-N 2 2 325.460 2.761 10 30 EFEELP CC(=NNCCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848419547 1334715237 /nfs/dbraw/zinc/71/52/37/1334715237.db2.gz YTTBMJLKGNLJFY-LJQANCHMSA-N 2 2 325.460 2.761 10 30 EFEELP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cn1 ZINC000848620885 1334815030 /nfs/dbraw/zinc/81/50/30/1334815030.db2.gz HFLMWJUSMHKLDF-AWEZNQCLSA-N 2 2 337.387 2.710 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001365936506 1337268823 /nfs/dbraw/zinc/26/88/23/1337268823.db2.gz WPMFZWVHVHLADK-HNNXBMFYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001365936506 1337268826 /nfs/dbraw/zinc/26/88/26/1337268826.db2.gz WPMFZWVHVHLADK-HNNXBMFYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001365936506 1337268831 /nfs/dbraw/zinc/26/88/31/1337268831.db2.gz WPMFZWVHVHLADK-HNNXBMFYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001365936506 1337268837 /nfs/dbraw/zinc/26/88/37/1337268837.db2.gz WPMFZWVHVHLADK-HNNXBMFYSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001368342896 1339307386 /nfs/dbraw/zinc/30/73/86/1339307386.db2.gz TWISTEJCKHQKJL-LSDHHAIUSA-N 2 2 338.883 2.506 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001374510573 1342001164 /nfs/dbraw/zinc/00/11/64/1342001164.db2.gz SWKQNJKHIXRNOI-UHFFFAOYSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001374510573 1342001166 /nfs/dbraw/zinc/00/11/66/1342001166.db2.gz SWKQNJKHIXRNOI-UHFFFAOYSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374510573 1342001168 /nfs/dbraw/zinc/00/11/68/1342001168.db2.gz SWKQNJKHIXRNOI-UHFFFAOYSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001374510573 1342001170 /nfs/dbraw/zinc/00/11/70/1342001170.db2.gz SWKQNJKHIXRNOI-UHFFFAOYSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001375593084 1342910868 /nfs/dbraw/zinc/91/08/68/1342910868.db2.gz SFVDYXSGONJVND-KBMXLJTQSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279200 1357661746 /nfs/dbraw/zinc/66/17/46/1357661746.db2.gz JQCKVKMLQFWJGB-JKSUJKDBSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279200 1357661749 /nfs/dbraw/zinc/66/17/49/1357661749.db2.gz JQCKVKMLQFWJGB-JKSUJKDBSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001403194071 1364421697 /nfs/dbraw/zinc/42/16/97/1364421697.db2.gz PEFPZIAKYXPJMV-NVXWUHKLSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001403194071 1364421699 /nfs/dbraw/zinc/42/16/99/1364421699.db2.gz PEFPZIAKYXPJMV-NVXWUHKLSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001403194071 1364421702 /nfs/dbraw/zinc/42/17/02/1364421702.db2.gz PEFPZIAKYXPJMV-NVXWUHKLSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001403194071 1364421704 /nfs/dbraw/zinc/42/17/04/1364421704.db2.gz PEFPZIAKYXPJMV-NVXWUHKLSA-N 2 2 337.895 2.868 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001421658169 1378960251 /nfs/dbraw/zinc/96/02/51/1378960251.db2.gz URCRUHJMTHWZIU-QGZVFWFLSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001421658169 1378960258 /nfs/dbraw/zinc/96/02/58/1378960258.db2.gz URCRUHJMTHWZIU-QGZVFWFLSA-N 2 2 337.895 2.827 10 30 EFEELP C=C(Cl)C[NH+]1CCc2c(CNC(=O)C[N@@H+](C)C(C)C)cccc2C1 ZINC001421695413 1379001821 /nfs/dbraw/zinc/00/18/21/1379001821.db2.gz AEYRVHVBOXXAOQ-UHFFFAOYSA-N 2 2 349.906 2.754 10 30 EFEELP C=C(Cl)C[NH+]1CCc2c(CNC(=O)C[N@H+](C)C(C)C)cccc2C1 ZINC001421695413 1379001824 /nfs/dbraw/zinc/00/18/24/1379001824.db2.gz AEYRVHVBOXXAOQ-UHFFFAOYSA-N 2 2 349.906 2.754 10 30 EFEELP C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001421695413 1379001827 /nfs/dbraw/zinc/00/18/27/1379001827.db2.gz AEYRVHVBOXXAOQ-UHFFFAOYSA-N 2 2 349.906 2.754 10 30 EFEELP C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001421695413 1379001832 /nfs/dbraw/zinc/00/18/32/1379001832.db2.gz AEYRVHVBOXXAOQ-UHFFFAOYSA-N 2 2 349.906 2.754 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001422555198 1380311261 /nfs/dbraw/zinc/31/12/61/1380311261.db2.gz VNQOHIXXIHGQCU-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001422555198 1380311263 /nfs/dbraw/zinc/31/12/63/1380311263.db2.gz VNQOHIXXIHGQCU-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001422555198 1380311265 /nfs/dbraw/zinc/31/12/65/1380311265.db2.gz VNQOHIXXIHGQCU-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001422555198 1380311266 /nfs/dbraw/zinc/31/12/66/1380311266.db2.gz VNQOHIXXIHGQCU-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001440216417 1389444823 /nfs/dbraw/zinc/44/48/23/1389444823.db2.gz GAMXQOCJAROKSL-UHFFFAOYSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001440216417 1389444826 /nfs/dbraw/zinc/44/48/26/1389444826.db2.gz GAMXQOCJAROKSL-UHFFFAOYSA-N 2 2 349.906 2.829 10 30 EFEELP C=C(Cl)C[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001448226285 1392033754 /nfs/dbraw/zinc/03/37/54/1392033754.db2.gz NALMMWCJBPZWFV-UHFFFAOYSA-N 2 2 338.883 2.514 10 30 EFEELP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001507319942 1406884227 /nfs/dbraw/zinc/88/42/27/1406884227.db2.gz VXZOVJCEYDVTFF-YOEHRIQHSA-N 2 2 326.444 2.802 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479528495 1397751487 /nfs/dbraw/zinc/75/14/87/1397751487.db2.gz MZWBIFWKMBIQEX-QAPCUYQASA-N 2 2 332.492 2.834 10 30 EFEELP 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1419123223 /nfs/dbraw/zinc/12/32/23/1419123223.db2.gz REFIVRUKXOGEDA-PBHICJAKSA-N 2 2 326.444 2.517 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717115206 1419219105 /nfs/dbraw/zinc/21/91/05/1419219105.db2.gz JOKVMNSHQZIZHV-HNNXBMFYSA-N 2 2 326.444 2.885 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717115206 1419219109 /nfs/dbraw/zinc/21/91/09/1419219109.db2.gz JOKVMNSHQZIZHV-HNNXBMFYSA-N 2 2 326.444 2.885 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001717115065 1419219378 /nfs/dbraw/zinc/21/93/78/1419219378.db2.gz IMIUKYMPMIILRR-HOTGVXAUSA-N 2 2 326.444 2.987 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001717115066 1419219517 /nfs/dbraw/zinc/21/95/17/1419219517.db2.gz IMIUKYMPMIILRR-HZPDHXFCSA-N 2 2 326.444 2.987 10 30 EFEELP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)Cc3c[nH]c[nH+]3)cccc2C1 ZINC001717143248 1419234911 /nfs/dbraw/zinc/23/49/11/1419234911.db2.gz COKPSJIMNSOVEO-UHFFFAOYSA-N 2 2 338.455 2.593 10 30 EFEELP C=C(C)CC[N@H+]1CCc2c(CNC(=O)Cc3c[nH]c[nH+]3)cccc2C1 ZINC001717143248 1419234914 /nfs/dbraw/zinc/23/49/14/1419234914.db2.gz COKPSJIMNSOVEO-UHFFFAOYSA-N 2 2 338.455 2.593 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001717209429 1419267625 /nfs/dbraw/zinc/26/76/25/1419267625.db2.gz XTPNRJALNQFDRT-IRXDYDNUSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001717209429 1419267628 /nfs/dbraw/zinc/26/76/28/1419267628.db2.gz XTPNRJALNQFDRT-IRXDYDNUSA-N 2 2 332.492 2.581 10 30 EFEELP CC#CC[NH+]1CCC(CCCCCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001717242928 1419284299 /nfs/dbraw/zinc/28/42/99/1419284299.db2.gz RQPPGXSZBFUOGM-UHFFFAOYSA-N 2 2 344.503 2.673 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC/C=C\CC ZINC001717538753 1419434676 /nfs/dbraw/zinc/43/46/76/1419434676.db2.gz UFZUMQKRZSKMSN-XHHZUUQWSA-N 2 2 345.531 2.801 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC/C=C\CC ZINC001717538753 1419434678 /nfs/dbraw/zinc/43/46/78/1419434678.db2.gz UFZUMQKRZSKMSN-XHHZUUQWSA-N 2 2 345.531 2.801 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC/C=C\CC ZINC001717538753 1419434680 /nfs/dbraw/zinc/43/46/80/1419434680.db2.gz UFZUMQKRZSKMSN-XHHZUUQWSA-N 2 2 345.531 2.801 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC/C=C\CC ZINC001717538753 1419434682 /nfs/dbraw/zinc/43/46/82/1419434682.db2.gz UFZUMQKRZSKMSN-XHHZUUQWSA-N 2 2 345.531 2.801 10 30 EFEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001717632757 1419480505 /nfs/dbraw/zinc/48/05/05/1419480505.db2.gz SPCKBDALTAMBKP-FFZOFVMBSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC001717632757 1419480506 /nfs/dbraw/zinc/48/05/06/1419480506.db2.gz SPCKBDALTAMBKP-FFZOFVMBSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001717632757 1419480508 /nfs/dbraw/zinc/48/05/08/1419480508.db2.gz SPCKBDALTAMBKP-FFZOFVMBSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001717632757 1419480509 /nfs/dbraw/zinc/48/05/09/1419480509.db2.gz SPCKBDALTAMBKP-FFZOFVMBSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717702055 1419515778 /nfs/dbraw/zinc/51/57/78/1419515778.db2.gz QSTWZHMNXJCMMQ-GOSISDBHSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717702055 1419515780 /nfs/dbraw/zinc/51/57/80/1419515780.db2.gz QSTWZHMNXJCMMQ-GOSISDBHSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001717740728 1419532244 /nfs/dbraw/zinc/53/22/44/1419532244.db2.gz VKLPNXPGRLYWQX-QGZVFWFLSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC001717898571 1419608668 /nfs/dbraw/zinc/60/86/68/1419608668.db2.gz ZBHLUIVFOWXPIS-CVEARBPZSA-N 2 2 332.492 2.534 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001717984257 1419642745 /nfs/dbraw/zinc/64/27/45/1419642745.db2.gz WHOOSBGVAMYQBE-INIZCTEOSA-N 2 2 345.487 2.816 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001723639027 1424542233 /nfs/dbraw/zinc/54/22/33/1424542233.db2.gz CYKVZGJQYLZOII-MSOLQXFVSA-N 2 2 330.476 2.695 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001723639027 1424542239 /nfs/dbraw/zinc/54/22/39/1424542239.db2.gz CYKVZGJQYLZOII-MSOLQXFVSA-N 2 2 330.476 2.695 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001723689704 1424557909 /nfs/dbraw/zinc/55/79/09/1424557909.db2.gz BNEAVYJZXNYNST-APWZRJJASA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001723689704 1424557912 /nfs/dbraw/zinc/55/79/12/1424557912.db2.gz BNEAVYJZXNYNST-APWZRJJASA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001724005113 1424620905 /nfs/dbraw/zinc/62/09/05/1424620905.db2.gz MWEGEXYFMJJRMT-INIZCTEOSA-N 2 2 345.487 2.958 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001724088026 1424652773 /nfs/dbraw/zinc/65/27/73/1424652773.db2.gz DCCJRHAWFQFZHI-HKUYNNGSSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001724260877 1424716211 /nfs/dbraw/zinc/71/62/11/1424716211.db2.gz VPFBTFPXAUOIDD-DNVCBOLYSA-N 2 2 332.492 2.870 10 30 EFEELP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001724294525 1424723505 /nfs/dbraw/zinc/72/35/05/1424723505.db2.gz PAGNFBCUQWEPQK-SFHVURJKSA-N 2 2 344.503 2.712 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001724589163 1424807655 /nfs/dbraw/zinc/80/76/55/1424807655.db2.gz QLMFXSZMQPGQFK-HOCLYGCPSA-N 2 2 326.444 2.827 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001724632473 1424856595 /nfs/dbraw/zinc/85/65/95/1424856595.db2.gz XBNQNUMZQTUOBO-OKZBNKHCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001724632473 1424856603 /nfs/dbraw/zinc/85/66/03/1424856603.db2.gz XBNQNUMZQTUOBO-OKZBNKHCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001724632473 1424856613 /nfs/dbraw/zinc/85/66/13/1424856613.db2.gz XBNQNUMZQTUOBO-OKZBNKHCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001724632473 1424856623 /nfs/dbraw/zinc/85/66/23/1424856623.db2.gz XBNQNUMZQTUOBO-OKZBNKHCSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001724655913 1424891922 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EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725428240 1425575228 /nfs/dbraw/zinc/57/52/28/1425575228.db2.gz ZRVGXBBPKANURN-MRXNPFEDSA-N 2 2 332.492 2.630 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725428240 1425575230 /nfs/dbraw/zinc/57/52/30/1425575230.db2.gz ZRVGXBBPKANURN-MRXNPFEDSA-N 2 2 332.492 2.630 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725428239 1425575347 /nfs/dbraw/zinc/57/53/47/1425575347.db2.gz ZRVGXBBPKANURN-INIZCTEOSA-N 2 2 332.492 2.630 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725428239 1425575350 /nfs/dbraw/zinc/57/53/50/1425575350.db2.gz ZRVGXBBPKANURN-INIZCTEOSA-N 2 2 332.492 2.630 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001725604510 1425693160 /nfs/dbraw/zinc/69/31/60/1425693160.db2.gz RIUBNCVVBIQMCA-DLBZAZTESA-N 2 2 340.471 2.730 10 30 EFEELP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000895380516 724087482 /nfs/dbraw/zinc/08/74/82/724087482.db2.gz ZGAUQWHAAUECRL-MAUKXSAKSA-N 2 2 325.460 2.758 10 30 EFEELP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000895380516 724087485 /nfs/dbraw/zinc/08/74/85/724087485.db2.gz ZGAUQWHAAUECRL-MAUKXSAKSA-N 2 2 325.460 2.758 10 30 EFEELP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000895380517 724087677 /nfs/dbraw/zinc/08/76/77/724087677.db2.gz ZGAUQWHAAUECRL-QAPCUYQASA-N 2 2 325.460 2.758 10 30 EFEELP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000895380517 724087680 /nfs/dbraw/zinc/08/76/80/724087680.db2.gz ZGAUQWHAAUECRL-QAPCUYQASA-N 2 2 325.460 2.758 10 30 EFEELP C=C1CCC(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000915501039 727082591 /nfs/dbraw/zinc/08/25/91/727082591.db2.gz YCAXGQZYIQQYRM-UHFFFAOYSA-N 2 2 348.535 2.591 10 30 EFEELP N#Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000921495865 729462352 /nfs/dbraw/zinc/46/23/52/729462352.db2.gz IQOWSIKEDNVTSO-UHFFFAOYSA-N 2 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C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001569864162 1085690689 /nfs/dbraw/zinc/69/06/89/1085690689.db2.gz MZZWFIYWTOMVIB-BZSNNMDCSA-N 2 2 344.503 2.534 10 30 EFEELP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001569864163 1085690729 /nfs/dbraw/zinc/69/07/29/1085690729.db2.gz MZZWFIYWTOMVIB-KZNAEPCWSA-N 2 2 344.503 2.534 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001569914664 1085760196 /nfs/dbraw/zinc/76/01/96/1085760196.db2.gz IRJULZSYJVFRKE-OALUTQOASA-N 2 2 346.519 2.998 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001569914664 1085760202 /nfs/dbraw/zinc/76/02/02/1085760202.db2.gz IRJULZSYJVFRKE-OALUTQOASA-N 2 2 346.519 2.998 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001570399696 1086203818 /nfs/dbraw/zinc/20/38/18/1086203818.db2.gz IIRMVJYUJVHJCC-QGZVFWFLSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001570399696 1086203825 /nfs/dbraw/zinc/20/38/25/1086203825.db2.gz IIRMVJYUJVHJCC-QGZVFWFLSA-N 2 2 332.492 2.536 10 30 EFEELP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001570536538 1086328970 /nfs/dbraw/zinc/32/89/70/1086328970.db2.gz QBJVZLDVQVJNOT-LJQANCHMSA-N 2 2 338.455 2.985 10 30 EFEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001570536538 1086328979 /nfs/dbraw/zinc/32/89/79/1086328979.db2.gz QBJVZLDVQVJNOT-LJQANCHMSA-N 2 2 338.455 2.985 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001571540950 1086947128 /nfs/dbraw/zinc/94/71/28/1086947128.db2.gz WDEVNEFJRCYYSB-HZPDHXFCSA-N 2 2 326.444 2.789 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC001571557885 1086958997 /nfs/dbraw/zinc/95/89/97/1086958997.db2.gz XNDAGIOOXKWPAO-QGZVFWFLSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001571627218 1086998385 /nfs/dbraw/zinc/99/83/85/1086998385.db2.gz PPHWTQJORRALSH-HOTGVXAUSA-N 2 2 332.492 2.532 10 30 EFEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001571627322 1086998626 /nfs/dbraw/zinc/99/86/26/1086998626.db2.gz RANFHFCCMORZQU-SJORKVTESA-N 2 2 332.492 2.614 10 30 EFEELP C=CC[NH2+]C1(CNC(=O)CCC)CC[NH+](Cc2ccccc2)CC1 ZINC001571650615 1087020770 /nfs/dbraw/zinc/02/07/70/1087020770.db2.gz ACXJUKOPIYKPSU-UHFFFAOYSA-N 2 2 329.488 2.713 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001671229877 1088363712 /nfs/dbraw/zinc/36/37/12/1088363712.db2.gz AWVSHSUBMZZZKE-IAGOWNOFSA-N 2 2 344.503 2.697 10 30 EFEELP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001647042611 1088770952 /nfs/dbraw/zinc/77/09/52/1088770952.db2.gz LGSAWIPOUPQKMB-LJQANCHMSA-N 2 2 330.472 2.535 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001267085380 1092615653 /nfs/dbraw/zinc/61/56/53/1092615653.db2.gz OEJOJUMSVVBRDK-HOTGVXAUSA-N 2 2 326.444 2.931 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267189882 1093134762 /nfs/dbraw/zinc/13/47/62/1093134762.db2.gz AFVRRZLMIZLSHO-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481094261 1094450162 /nfs/dbraw/zinc/45/01/62/1094450162.db2.gz QXCZHTHHGPFRPK-DLBZAZTESA-N 2 2 344.503 2.555 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481094261 1094450170 /nfs/dbraw/zinc/45/01/70/1094450170.db2.gz QXCZHTHHGPFRPK-DLBZAZTESA-N 2 2 344.503 2.555 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001268045047 1094796350 /nfs/dbraw/zinc/79/63/50/1094796350.db2.gz GPMOVBCTTMNRKA-DLBZAZTESA-N 2 2 344.503 2.819 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267615975 1094880517 /nfs/dbraw/zinc/88/05/17/1094880517.db2.gz YUDLZCAKUCWADD-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267615975 1094880540 /nfs/dbraw/zinc/88/05/40/1094880540.db2.gz YUDLZCAKUCWADD-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001267487337 1094917317 /nfs/dbraw/zinc/91/73/17/1094917317.db2.gz SLNFFNCDEQAPIQ-INIZCTEOSA-N 2 2 344.503 2.555 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001267494817 1094971489 /nfs/dbraw/zinc/97/14/89/1094971489.db2.gz CVSMLGUPXOTLQR-QGZVFWFLSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(Cl)C[NH+](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481185880 1095179618 /nfs/dbraw/zinc/17/96/18/1095179618.db2.gz HEEOGDLAQBPEEY-KRWDZBQOSA-N 2 2 345.890 2.532 10 30 EFEELP C=C(Cl)C[NH+](CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001481185880 1095179624 /nfs/dbraw/zinc/17/96/24/1095179624.db2.gz HEEOGDLAQBPEEY-KRWDZBQOSA-N 2 2 345.890 2.532 10 30 EFEELP C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001481185880 1095179630 /nfs/dbraw/zinc/17/96/30/1095179630.db2.gz HEEOGDLAQBPEEY-KRWDZBQOSA-N 2 2 345.890 2.532 10 30 EFEELP C=C(Cl)C[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001481185880 1095179635 /nfs/dbraw/zinc/17/96/35/1095179635.db2.gz HEEOGDLAQBPEEY-KRWDZBQOSA-N 2 2 345.890 2.532 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268089993 1095267588 /nfs/dbraw/zinc/26/75/88/1095267588.db2.gz QFEVSGUHJJNPIY-INIZCTEOSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267542499 1095427002 /nfs/dbraw/zinc/42/70/02/1095427002.db2.gz XWRLSNLJAQLWJF-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267542499 1095427009 /nfs/dbraw/zinc/42/70/09/1095427009.db2.gz XWRLSNLJAQLWJF-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267542499 1095427018 /nfs/dbraw/zinc/42/70/18/1095427018.db2.gz XWRLSNLJAQLWJF-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267542499 1095427024 /nfs/dbraw/zinc/42/70/24/1095427024.db2.gz XWRLSNLJAQLWJF-GVDBMIGSSA-N 2 2 330.476 2.792 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267545343 1095448241 /nfs/dbraw/zinc/44/82/41/1095448241.db2.gz RWJLTEIJBBILTB-OAHLLOKOSA-N 2 2 326.444 2.971 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267545343 1095448248 /nfs/dbraw/zinc/44/82/48/1095448248.db2.gz RWJLTEIJBBILTB-OAHLLOKOSA-N 2 2 326.444 2.971 10 30 EFEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001268132432 1095453825 /nfs/dbraw/zinc/45/38/25/1095453825.db2.gz NSYUGQHJBKQLIS-HOTGVXAUSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001268134935 1095462947 /nfs/dbraw/zinc/46/29/47/1095462947.db2.gz PQWXIGFFPXZTCM-GDBMZVCRSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001268178720 1096029843 /nfs/dbraw/zinc/02/98/43/1096029843.db2.gz MMPCBWVUJMWMPX-IRXDYDNUSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268188216 1096054740 /nfs/dbraw/zinc/05/47/40/1096054740.db2.gz RQQOHXAUHBHXLK-KDOFPFPSSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268274334 1096234135 /nfs/dbraw/zinc/23/41/35/1096234135.db2.gz BDYOLOBUNBMEPA-SJLPKXTDSA-N 2 2 344.503 2.603 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481729625 1096433496 /nfs/dbraw/zinc/43/34/96/1096433496.db2.gz CUWVTAFNMGDVKU-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481729625 1096433505 /nfs/dbraw/zinc/43/35/05/1096433505.db2.gz CUWVTAFNMGDVKU-ZWKOTPCHSA-N 2 2 346.519 2.949 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481730291 1096437057 /nfs/dbraw/zinc/43/70/57/1096437057.db2.gz HTSASBAEAQXWJM-QZTJIDSGSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481730291 1096437062 /nfs/dbraw/zinc/43/70/62/1096437062.db2.gz HTSASBAEAQXWJM-QZTJIDSGSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481730289 1096437098 /nfs/dbraw/zinc/43/70/98/1096437098.db2.gz HTSASBAEAQXWJM-MSOLQXFVSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001481730289 1096437101 /nfs/dbraw/zinc/43/71/01/1096437101.db2.gz HTSASBAEAQXWJM-MSOLQXFVSA-N 2 2 332.492 2.969 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481732853 1096451802 /nfs/dbraw/zinc/45/18/02/1096451802.db2.gz XECFXVAHYFIXSK-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481732853 1096451807 /nfs/dbraw/zinc/45/18/07/1096451807.db2.gz XECFXVAHYFIXSK-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[NH2+]CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268466560 1096791568 /nfs/dbraw/zinc/79/15/68/1096791568.db2.gz LFGLAUPECKYVEH-UHFFFAOYSA-N 2 2 326.444 2.890 10 30 EFEELP CC#CC[NH2+]CC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001481899440 1096892541 /nfs/dbraw/zinc/89/25/41/1096892541.db2.gz WHICKTMIYPPJIX-KRWDZBQOSA-N 2 2 330.476 2.512 10 30 EFEELP CC#CC[NH2+]C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@H]1C ZINC001481957684 1096996524 /nfs/dbraw/zinc/99/65/24/1096996524.db2.gz JGRMZGKQBRAFND-FOIQADDNSA-N 2 2 338.455 2.855 10 30 EFEELP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001481980688 1097034958 /nfs/dbraw/zinc/03/49/58/1097034958.db2.gz CALCHCWVGGUESJ-ROUUACIJSA-N 2 2 344.503 2.630 10 30 EFEELP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482042494 1097156429 /nfs/dbraw/zinc/15/64/29/1097156429.db2.gz JBHJGUIZLWLABA-IAGOWNOFSA-N 2 2 330.476 2.698 10 30 EFEELP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482042494 1097156430 /nfs/dbraw/zinc/15/64/30/1097156430.db2.gz JBHJGUIZLWLABA-IAGOWNOFSA-N 2 2 330.476 2.698 10 30 EFEELP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001482069787 1097230861 /nfs/dbraw/zinc/23/08/61/1097230861.db2.gz BUGCQUXULWHXIB-SFHVURJKSA-N 2 2 344.503 2.971 10 30 EFEELP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001482069787 1097230866 /nfs/dbraw/zinc/23/08/66/1097230866.db2.gz BUGCQUXULWHXIB-SFHVURJKSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001269170240 1097916086 /nfs/dbraw/zinc/91/60/86/1097916086.db2.gz XOKVBDRECWFGAY-SJORKVTESA-N 2 2 332.492 2.719 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001269252349 1097987120 /nfs/dbraw/zinc/98/71/20/1097987120.db2.gz YIOKAWYCIQQOLC-DLBZAZTESA-N 2 2 332.492 2.814 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001269252349 1097987122 /nfs/dbraw/zinc/98/71/22/1097987122.db2.gz YIOKAWYCIQQOLC-DLBZAZTESA-N 2 2 332.492 2.814 10 30 EFEELP C=CCCC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC001482220089 1098147488 /nfs/dbraw/zinc/14/74/88/1098147488.db2.gz VALBXFLNGWJZPA-UHFFFAOYSA-N 2 2 344.503 2.747 10 30 EFEELP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001269570788 1098255536 /nfs/dbraw/zinc/25/55/36/1098255536.db2.gz SALFOYBBIBRWGV-AYHJJNSGSA-N 2 2 330.476 2.741 10 30 EFEELP C#CC[NH2+]C[C@]1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC[C@@H]1C ZINC001269665366 1098338328 /nfs/dbraw/zinc/33/83/28/1098338328.db2.gz QMWINTKJFQOGDJ-MGPUTAFESA-N 2 2 338.455 2.544 10 30 EFEELP C=CCC[NH2+]C[C@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@@H]1C ZINC001269672655 1098346647 /nfs/dbraw/zinc/34/66/47/1098346647.db2.gz YBNSMFUPRBDRAP-QFBILLFUSA-N 2 2 332.492 2.584 10 30 EFEELP C=C(C)C[NH2+]C[C@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001269677352 1098351608 /nfs/dbraw/zinc/35/16/08/1098351608.db2.gz QKCJOGYYYAPBIF-VQIMIIECSA-N 2 2 332.492 2.584 10 30 EFEELP C=CCCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001269708646 1098386206 /nfs/dbraw/zinc/38/62/06/1098386206.db2.gz GXJKTEFEWDICPJ-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP C=CCCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001269708646 1098386211 /nfs/dbraw/zinc/38/62/11/1098386211.db2.gz GXJKTEFEWDICPJ-UHFFFAOYSA-N 2 2 330.476 2.623 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001269740871 1098412855 /nfs/dbraw/zinc/41/28/55/1098412855.db2.gz IMPPCFYKHPCVJC-IBGZPJMESA-N 2 2 332.492 2.847 10 30 EFEELP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001269740871 1098412857 /nfs/dbraw/zinc/41/28/57/1098412857.db2.gz IMPPCFYKHPCVJC-IBGZPJMESA-N 2 2 332.492 2.847 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001269742519 1098417041 /nfs/dbraw/zinc/41/70/41/1098417041.db2.gz VCWNEWDOUSLLAG-KRWDZBQOSA-N 2 2 345.487 2.817 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001269745930 1098420445 /nfs/dbraw/zinc/42/04/45/1098420445.db2.gz VAGSJBKYHSEESB-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001269745930 1098420447 /nfs/dbraw/zinc/42/04/47/1098420447.db2.gz VAGSJBKYHSEESB-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267910982 1098591977 /nfs/dbraw/zinc/59/19/77/1098591977.db2.gz YTNKKBXRCLKMPS-SFHVURJKSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001270083636 1098674326 /nfs/dbraw/zinc/67/43/26/1098674326.db2.gz PXSYVYLJWKKPSW-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(C)C[NH+]1CCC(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001270118057 1098711755 /nfs/dbraw/zinc/71/17/55/1098711755.db2.gz FJLVBVMZKOLYQP-UHFFFAOYSA-N 2 2 344.503 2.556 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001270150054 1098746064 /nfs/dbraw/zinc/74/60/64/1098746064.db2.gz BJUMDQOYNOMHRS-SFHVURJKSA-N 2 2 340.471 2.732 10 30 EFEELP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267944763 1098782433 /nfs/dbraw/zinc/78/24/33/1098782433.db2.gz KZZLASPQJQQHAO-GOSISDBHSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267767860 1098948436 /nfs/dbraw/zinc/94/84/36/1098948436.db2.gz LOWBSHMLBMMWAN-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267767860 1098948444 /nfs/dbraw/zinc/94/84/44/1098948444.db2.gz LOWBSHMLBMMWAN-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001270345676 1098988752 /nfs/dbraw/zinc/98/87/52/1098988752.db2.gz KPNCLIMXSGHJAR-SJORKVTESA-N 2 2 348.466 2.509 10 30 EFEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001270345673 1098989147 /nfs/dbraw/zinc/98/91/47/1098989147.db2.gz KPNCLIMXSGHJAR-DLBZAZTESA-N 2 2 348.466 2.509 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001267974216 1099034971 /nfs/dbraw/zinc/03/49/71/1099034971.db2.gz QLTZSQGKGDCVJW-MRXNPFEDSA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001267974216 1099034982 /nfs/dbraw/zinc/03/49/82/1099034982.db2.gz QLTZSQGKGDCVJW-MRXNPFEDSA-N 2 2 330.476 2.621 10 30 EFEELP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482299559 1099245122 /nfs/dbraw/zinc/24/51/22/1099245122.db2.gz RAQGHNOOIYDFQL-INIZCTEOSA-N 2 2 346.434 2.665 10 30 EFEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001481334375 1099348070 /nfs/dbraw/zinc/34/80/70/1099348070.db2.gz JMWIPHQAMQOGJQ-INIZCTEOSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001481337254 1099358596 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ZINC001485030804 1117956158 /nfs/dbraw/zinc/95/61/58/1117956158.db2.gz CVINAVLVNAWGSQ-UHFFFAOYSA-N 2 2 344.503 2.508 10 30 EFEELP C=CC[N@H+](CC)CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001485030804 1117956162 /nfs/dbraw/zinc/95/61/62/1117956162.db2.gz CVINAVLVNAWGSQ-UHFFFAOYSA-N 2 2 344.503 2.508 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001485082733 1118033421 /nfs/dbraw/zinc/03/34/21/1118033421.db2.gz IHONSISSNLQFLR-SFHVURJKSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001485082733 1118033427 /nfs/dbraw/zinc/03/34/27/1118033427.db2.gz IHONSISSNLQFLR-SFHVURJKSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCC[NH2+]C1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001485238962 1118170330 /nfs/dbraw/zinc/17/03/30/1118170330.db2.gz UMJAEDFBBVKWJI-UHFFFAOYSA-N 2 2 344.503 2.697 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001272699535 1118325429 /nfs/dbraw/zinc/32/54/29/1118325429.db2.gz BABQWGGYESWQOC-ZTFGCOKTSA-N 2 2 338.455 2.677 10 30 EFEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485485908 1118419279 /nfs/dbraw/zinc/41/92/79/1118419279.db2.gz SYLZBRMUVOGRCQ-GOSISDBHSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485485908 1118419281 /nfs/dbraw/zinc/41/92/81/1118419281.db2.gz SYLZBRMUVOGRCQ-GOSISDBHSA-N 2 2 332.492 2.680 10 30 EFEELP C=CCCCCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001485767006 1118580058 /nfs/dbraw/zinc/58/00/58/1118580058.db2.gz SXXSWBAPYOOGIG-UHFFFAOYSA-N 2 2 332.492 2.632 10 30 EFEELP C=CCCCCC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001485767006 1118580061 /nfs/dbraw/zinc/58/00/61/1118580061.db2.gz SXXSWBAPYOOGIG-UHFFFAOYSA-N 2 2 332.492 2.632 10 30 EFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000178318682 232135513 /nfs/dbraw/zinc/13/55/13/232135513.db2.gz LUYUWVSBUBHVQT-QGZVFWFLSA-N 2 2 348.410 2.778 10 30 EFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000178318682 232135515 /nfs/dbraw/zinc/13/55/15/232135515.db2.gz LUYUWVSBUBHVQT-QGZVFWFLSA-N 2 2 348.410 2.778 10 30 EFEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328660242 241213147 /nfs/dbraw/zinc/21/31/47/241213147.db2.gz VAIORSHELGWQPJ-BRWVUGGUSA-N 2 2 345.491 2.542 10 30 EFEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328660242 241213150 /nfs/dbraw/zinc/21/31/50/241213150.db2.gz VAIORSHELGWQPJ-BRWVUGGUSA-N 2 2 345.491 2.542 10 30 EFEELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)[C@@H](C)C1 ZINC000328656407 241214726 /nfs/dbraw/zinc/21/47/26/241214726.db2.gz NUZWAPSQWXYFJW-XIRDDKMYSA-N 2 2 347.507 2.645 10 30 EFEELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)[C@@H](C)C1 ZINC000328656407 241214729 /nfs/dbraw/zinc/21/47/29/241214729.db2.gz NUZWAPSQWXYFJW-XIRDDKMYSA-N 2 2 347.507 2.645 10 30 EFEELP C=CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000357552304 242101229 /nfs/dbraw/zinc/10/12/29/242101229.db2.gz LSHABZZUEUYNBF-QGZVFWFLSA-N 2 2 327.472 2.542 10 30 EFEELP C=CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000357552304 242101233 /nfs/dbraw/zinc/10/12/33/242101233.db2.gz LSHABZZUEUYNBF-QGZVFWFLSA-N 2 2 327.472 2.542 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](CO)C3)CC2)cc1 ZINC000414345654 244095421 /nfs/dbraw/zinc/09/54/21/244095421.db2.gz SWSFUOGJAZUYPK-ICSRJNTNSA-N 2 2 327.472 2.663 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000449390707 251009735 /nfs/dbraw/zinc/00/97/35/251009735.db2.gz WNWGKLYOXJQSEF-KBWCOIMZSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000449390707 251009741 /nfs/dbraw/zinc/00/97/41/251009741.db2.gz WNWGKLYOXJQSEF-KBWCOIMZSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000449397503 251011086 /nfs/dbraw/zinc/01/10/86/251011086.db2.gz VLFBVCVSYBIRGA-NYLDSWQDSA-N 2 2 341.499 2.827 10 30 EFEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449397503 251011089 /nfs/dbraw/zinc/01/10/89/251011089.db2.gz VLFBVCVSYBIRGA-NYLDSWQDSA-N 2 2 341.499 2.827 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CF)CCOCC3)CC2)cc1 ZINC000449489796 251042859 /nfs/dbraw/zinc/04/28/59/251042859.db2.gz UOFKHKYCIMLAQA-UHFFFAOYSA-N 2 2 345.462 2.879 10 30 EFEELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349200819 146065431 /nfs/dbraw/zinc/06/54/31/146065431.db2.gz ZTMOZQBKRJCMFZ-UHFFFAOYSA-N 2 2 336.443 2.877 10 30 EFEELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349200819 146065433 /nfs/dbraw/zinc/06/54/33/146065433.db2.gz ZTMOZQBKRJCMFZ-UHFFFAOYSA-N 2 2 336.443 2.877 10 30 EFEELP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000372601577 151036693 /nfs/dbraw/zinc/03/66/93/151036693.db2.gz QVLYBJRAMPQMDM-LJQANCHMSA-N 2 2 345.450 2.912 10 30 EFEELP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000372601577 151036696 /nfs/dbraw/zinc/03/66/96/151036696.db2.gz QVLYBJRAMPQMDM-LJQANCHMSA-N 2 2 345.450 2.912 10 30 EFEELP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356431680 277026338 /nfs/dbraw/zinc/02/63/38/277026338.db2.gz SOBQGNVFLBGZKV-UHFFFAOYSA-N 2 2 341.377 2.513 10 30 EFEELP CC[NH+]=C(NCC[NH+]1CCC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261949363 278166808 /nfs/dbraw/zinc/16/68/08/278166808.db2.gz GWISKNRWVWTQGZ-INIZCTEOSA-N 2 2 330.476 2.550 10 30 EFEELP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)C2=O)cc1 ZINC000569330726 319370561 /nfs/dbraw/zinc/37/05/61/319370561.db2.gz BHSMSKDBQZRVBI-AABGKKOBSA-N 2 2 346.434 2.788 10 30 EFEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000190458412 473280679 /nfs/dbraw/zinc/28/06/79/473280679.db2.gz UJUBBZRPLIGEBJ-AWEZNQCLSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000190458412 473280685 /nfs/dbraw/zinc/28/06/85/473280685.db2.gz UJUBBZRPLIGEBJ-AWEZNQCLSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190458412 473280691 /nfs/dbraw/zinc/28/06/91/473280691.db2.gz UJUBBZRPLIGEBJ-AWEZNQCLSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000190458412 473280697 /nfs/dbraw/zinc/28/06/97/473280697.db2.gz UJUBBZRPLIGEBJ-AWEZNQCLSA-N 2 2 330.457 2.870 10 30 EFEELP Cc1nc(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc[nH+]1 ZINC000597082182 479561827 /nfs/dbraw/zinc/56/18/27/479561827.db2.gz CGIMOTATRDXEIH-UHFFFAOYSA-N 2 2 333.439 2.662 10 30 EFEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1)C(C)C ZINC000625558949 479970134 /nfs/dbraw/zinc/97/01/34/479970134.db2.gz ZRNGBKSFRBUQNE-ZWKOTPCHSA-N 2 2 344.503 2.569 10 30 EFEELP C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129380825 472539950 /nfs/dbraw/zinc/53/99/50/472539950.db2.gz CEQDYACCWVIBJL-ZFWWWQNUSA-N 2 2 343.456 2.728 10 30 EFEELP C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129380825 472539959 /nfs/dbraw/zinc/53/99/59/472539959.db2.gz CEQDYACCWVIBJL-ZFWWWQNUSA-N 2 2 343.456 2.728 10 30 EFEELP CC[NH+]1CCN(C[C@H](C)CNC(=[NH+]C(C)C)c2cccs2)CC1 ZINC000071843657 472582145 /nfs/dbraw/zinc/58/21/45/472582145.db2.gz BLNNHWFEPWLRFH-MRXNPFEDSA-N 2 2 336.549 2.766 10 30 EFEELP N#Cc1ccc2ncc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)n2c1 ZINC000123269402 473120288 /nfs/dbraw/zinc/12/02/88/473120288.db2.gz CZZJAVCDGSMGGM-UHFFFAOYSA-N 2 2 342.406 2.741 10 30 EFEELP Cc1cc(C#N)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000186313184 473645989 /nfs/dbraw/zinc/64/59/89/473645989.db2.gz FOMOQENDUMUYEH-WCRBZPEASA-N 2 2 338.499 2.610 10 30 EFEELP Cc1cc(C#N)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000186313184 473645991 /nfs/dbraw/zinc/64/59/91/473645991.db2.gz FOMOQENDUMUYEH-WCRBZPEASA-N 2 2 338.499 2.610 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000179344490 473677688 /nfs/dbraw/zinc/67/76/88/473677688.db2.gz YXKZUGVSRDUQCH-KRWDZBQOSA-N 2 2 330.472 2.937 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000179344490 473677689 /nfs/dbraw/zinc/67/76/89/473677689.db2.gz YXKZUGVSRDUQCH-KRWDZBQOSA-N 2 2 330.472 2.937 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410068 473853652 /nfs/dbraw/zinc/85/36/52/473853652.db2.gz BBSWJWVAMAGVEF-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410068 473853658 /nfs/dbraw/zinc/85/36/58/473853658.db2.gz BBSWJWVAMAGVEF-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410068 473853664 /nfs/dbraw/zinc/85/36/64/473853664.db2.gz BBSWJWVAMAGVEF-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410068 473853669 /nfs/dbraw/zinc/85/36/69/473853669.db2.gz BBSWJWVAMAGVEF-YOEHRIQHSA-N 2 2 339.443 2.770 10 30 EFEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000187297731 473853660 /nfs/dbraw/zinc/85/36/60/473853660.db2.gz YDKULBRYQIBZGO-IBGZPJMESA-N 2 2 346.906 2.814 10 30 EFEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000187297731 473853666 /nfs/dbraw/zinc/85/36/66/473853666.db2.gz YDKULBRYQIBZGO-IBGZPJMESA-N 2 2 346.906 2.814 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410048 473853808 /nfs/dbraw/zinc/85/38/08/473853808.db2.gz BBSWJWVAMAGVEF-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410048 473853812 /nfs/dbraw/zinc/85/38/12/473853812.db2.gz BBSWJWVAMAGVEF-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410048 473853818 /nfs/dbraw/zinc/85/38/18/473853818.db2.gz BBSWJWVAMAGVEF-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000246410048 473853823 /nfs/dbraw/zinc/85/38/23/473853823.db2.gz BBSWJWVAMAGVEF-WMLDXEAASA-N 2 2 339.443 2.770 10 30 EFEELP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663601 473935112 /nfs/dbraw/zinc/93/51/12/473935112.db2.gz KPCRMHBZLYKBDM-BEFAXECRSA-N 2 2 339.443 2.577 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413886 474582658 /nfs/dbraw/zinc/58/26/58/474582658.db2.gz BWBNXXQJYBTRQG-HKUYNNGSSA-N 2 2 342.487 2.595 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413886 474582661 /nfs/dbraw/zinc/58/26/61/474582661.db2.gz BWBNXXQJYBTRQG-HKUYNNGSSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413886 474582665 /nfs/dbraw/zinc/58/26/65/474582665.db2.gz BWBNXXQJYBTRQG-HKUYNNGSSA-N 2 2 342.487 2.595 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245413886 474582668 /nfs/dbraw/zinc/58/26/68/474582668.db2.gz BWBNXXQJYBTRQG-HKUYNNGSSA-N 2 2 342.487 2.595 10 30 EFEELP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609157355 480121369 /nfs/dbraw/zinc/12/13/69/480121369.db2.gz FNENBNNVDAZWAH-OAHLLOKOSA-N 2 2 343.818 2.684 10 30 EFEELP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609157355 480121374 /nfs/dbraw/zinc/12/13/74/480121374.db2.gz FNENBNNVDAZWAH-OAHLLOKOSA-N 2 2 343.818 2.684 10 30 EFEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000352812307 475645541 /nfs/dbraw/zinc/64/55/41/475645541.db2.gz XQCKRAKGQXTDKT-CYBMUJFWSA-N 2 2 341.377 2.635 10 30 EFEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352845337 475650046 /nfs/dbraw/zinc/65/00/46/475650046.db2.gz IBNBVUJVIVODLU-OAHLLOKOSA-N 2 2 341.377 2.777 10 30 EFEELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352845337 475650054 /nfs/dbraw/zinc/65/00/54/475650054.db2.gz IBNBVUJVIVODLU-OAHLLOKOSA-N 2 2 341.377 2.777 10 30 EFEELP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000346955108 475988108 /nfs/dbraw/zinc/98/81/08/475988108.db2.gz BJUCLAYGKNQIOF-UHFFFAOYSA-N 2 2 329.488 2.537 10 30 EFEELP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000346955108 475988116 /nfs/dbraw/zinc/98/81/16/475988116.db2.gz BJUCLAYGKNQIOF-UHFFFAOYSA-N 2 2 329.488 2.537 10 30 EFEELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C[C@H](C)C#N)C3CC3)c2cc1C ZINC000336880194 476167929 /nfs/dbraw/zinc/16/79/29/476167929.db2.gz PEOZFCDBQXJOSI-CXAGYDPISA-N 2 2 326.444 2.638 10 30 EFEELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C[C@H](C)C#N)C3CC3)c2cc1C ZINC000336880194 476167937 /nfs/dbraw/zinc/16/79/37/476167937.db2.gz PEOZFCDBQXJOSI-CXAGYDPISA-N 2 2 326.444 2.638 10 30 EFEELP N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390878298 476807933 /nfs/dbraw/zinc/80/79/33/476807933.db2.gz UBVRPJOSYSVPKO-UFYCRDLUSA-N 2 2 327.472 2.949 10 30 EFEELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000423235696 476970473 /nfs/dbraw/zinc/97/04/73/476970473.db2.gz RFNRSQZGNRXXGX-CYBMUJFWSA-N 2 2 325.391 2.675 10 30 EFEELP C=CCC(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000432561580 477233187 /nfs/dbraw/zinc/23/31/87/477233187.db2.gz YCDSXXYYPBBIIC-JWTNVVGKSA-N 2 2 348.535 2.541 10 30 EFEELP C=CCC(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000432561580 477233198 /nfs/dbraw/zinc/23/31/98/477233198.db2.gz YCDSXXYYPBBIIC-JWTNVVGKSA-N 2 2 348.535 2.541 10 30 EFEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459382208 477876472 /nfs/dbraw/zinc/87/64/72/477876472.db2.gz CTTQPSQSDKVCTF-AWEZNQCLSA-N 2 2 339.399 2.655 10 30 EFEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459382208 477876475 /nfs/dbraw/zinc/87/64/75/477876475.db2.gz CTTQPSQSDKVCTF-AWEZNQCLSA-N 2 2 339.399 2.655 10 30 EFEELP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764308 478228747 /nfs/dbraw/zinc/22/87/47/478228747.db2.gz GAGRQZOLIRVZBN-KDOFPFPSSA-N 2 2 338.411 2.624 10 30 EFEELP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000535764308 478228748 /nfs/dbraw/zinc/22/87/48/478228748.db2.gz GAGRQZOLIRVZBN-KDOFPFPSSA-N 2 2 338.411 2.624 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000600208967 478285111 /nfs/dbraw/zinc/28/51/11/478285111.db2.gz QJOQPRBZMWYXLZ-UHFFFAOYSA-N 2 2 343.471 2.644 10 30 EFEELP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)CC1 ZINC000594463615 478399867 /nfs/dbraw/zinc/39/98/67/478399867.db2.gz IHPWTKIBCQWYGI-HNNXBMFYSA-N 2 2 349.504 2.725 10 30 EFEELP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000600714964 478480411 /nfs/dbraw/zinc/48/04/11/478480411.db2.gz QDARCMGQCCPYJD-SFHVURJKSA-N 2 2 347.890 2.949 10 30 EFEELP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527805713 478529856 /nfs/dbraw/zinc/52/98/56/478529856.db2.gz WHNKZCSAOOGTFM-ASKKUZCQSA-N 2 2 327.472 2.924 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137733 478680900 /nfs/dbraw/zinc/68/09/00/478680900.db2.gz HCOAWLCAANXIRW-GDBMZVCRSA-N 2 2 326.469 2.872 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000601137733 478680912 /nfs/dbraw/zinc/68/09/12/478680912.db2.gz HCOAWLCAANXIRW-GDBMZVCRSA-N 2 2 326.469 2.872 10 30 EFEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000598725631 478991891 /nfs/dbraw/zinc/99/18/91/478991891.db2.gz XWTMSFVYUANMOY-YMAMQOFZSA-N 2 2 347.425 2.682 10 30 EFEELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CC[C@@H](CC#N)C3)c2cc1C ZINC000566122441 479085800 /nfs/dbraw/zinc/08/58/00/479085800.db2.gz LQMGHFXUFAWPEV-ULQDDVLXSA-N 2 2 326.444 2.686 10 30 EFEELP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1C#N ZINC000599276583 479230943 /nfs/dbraw/zinc/23/09/43/479230943.db2.gz AYQUGIDSQCUOAF-RTBURBONSA-N 2 2 340.515 2.857 10 30 EFEELP CC[N@H+](C[C@@H](O)CC1(C#N)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599302821 479244502 /nfs/dbraw/zinc/24/45/02/479244502.db2.gz KQNGGRIJHVZFGV-SFHVURJKSA-N 2 2 342.487 2.675 10 30 EFEELP CC[N@@H+](C[C@@H](O)CC1(C#N)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599302821 479244511 /nfs/dbraw/zinc/24/45/11/479244511.db2.gz KQNGGRIJHVZFGV-SFHVURJKSA-N 2 2 342.487 2.675 10 30 EFEELP N#Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(F)c1 ZINC000611060749 479273721 /nfs/dbraw/zinc/27/37/21/479273721.db2.gz JIKDISPUZSFUCT-UHFFFAOYSA-N 2 2 345.341 2.833 10 30 EFEELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599371681 479274215 /nfs/dbraw/zinc/27/42/15/479274215.db2.gz FAJWYVJGZXKESC-RTBURBONSA-N 2 2 329.488 2.787 10 30 EFEELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599371681 479274221 /nfs/dbraw/zinc/27/42/21/479274221.db2.gz FAJWYVJGZXKESC-RTBURBONSA-N 2 2 329.488 2.787 10 30 EFEELP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276734 /nfs/dbraw/zinc/27/67/34/479276734.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 2 349.478 2.936 10 30 EFEELP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276738 /nfs/dbraw/zinc/27/67/38/479276738.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 2 349.478 2.936 10 30 EFEELP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276742 /nfs/dbraw/zinc/27/67/42/479276742.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 2 349.478 2.936 10 30 EFEELP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276745 /nfs/dbraw/zinc/27/67/45/479276745.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 2 349.478 2.936 10 30 EFEELP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000574696328 479332474 /nfs/dbraw/zinc/33/24/74/479332474.db2.gz UPIKIPISLSCMFE-OXJNMPFZSA-N 2 2 329.488 2.909 10 30 EFEELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678068 479387678 /nfs/dbraw/zinc/38/76/78/479387678.db2.gz FZZLHVAHIXTHGT-OAQYLSRUSA-N 2 2 349.478 2.604 10 30 EFEELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678068 479387685 /nfs/dbraw/zinc/38/76/85/479387685.db2.gz FZZLHVAHIXTHGT-OAQYLSRUSA-N 2 2 349.478 2.604 10 30 EFEELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678068 479387693 /nfs/dbraw/zinc/38/76/93/479387693.db2.gz FZZLHVAHIXTHGT-OAQYLSRUSA-N 2 2 349.478 2.604 10 30 EFEELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678068 479387699 /nfs/dbraw/zinc/38/76/99/479387699.db2.gz FZZLHVAHIXTHGT-OAQYLSRUSA-N 2 2 349.478 2.604 10 30 EFEELP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC1 ZINC000602541115 479388836 /nfs/dbraw/zinc/38/88/36/479388836.db2.gz TUCBOCYXTAKLSK-UHFFFAOYSA-N 2 2 348.491 2.506 10 30 EFEELP CCCn1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593692367 479425660 /nfs/dbraw/zinc/42/56/60/479425660.db2.gz DPVSVZNXMNBHTE-UHFFFAOYSA-N 2 2 337.471 2.919 10 30 EFEELP N#C[C@@H]1CCC[C@H]([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000618572568 479498767 /nfs/dbraw/zinc/49/87/67/479498767.db2.gz ADCCJZDKTXJKRS-HSALFYBXSA-N 2 2 327.472 2.685 10 30 EFEELP N#C[C@@H]1CCC[C@H]([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000618572568 479498772 /nfs/dbraw/zinc/49/87/72/479498772.db2.gz ADCCJZDKTXJKRS-HSALFYBXSA-N 2 2 327.472 2.685 10 30 EFEELP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796888 481973651 /nfs/dbraw/zinc/97/36/51/481973651.db2.gz CZWSAHAABLRCSV-JENIJYKNSA-N 2 2 349.425 2.525 10 30 EFEELP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796888 481973655 /nfs/dbraw/zinc/97/36/55/481973655.db2.gz CZWSAHAABLRCSV-JENIJYKNSA-N 2 2 349.425 2.525 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1OC ZINC000668784491 482261570 /nfs/dbraw/zinc/26/15/70/482261570.db2.gz GQEIKRLVVDXXQF-GOSISDBHSA-N 2 2 348.487 2.803 10 30 EFEELP C=CCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1OC ZINC000668784491 482261573 /nfs/dbraw/zinc/26/15/73/482261573.db2.gz GQEIKRLVVDXXQF-GOSISDBHSA-N 2 2 348.487 2.803 10 30 EFEELP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000151318239 524927521 /nfs/dbraw/zinc/92/75/21/524927521.db2.gz QUDMCNVNKGRJPS-LPHOPBHVSA-N 2 2 345.450 2.959 10 30 EFEELP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000151318239 524927531 /nfs/dbraw/zinc/92/75/31/524927531.db2.gz QUDMCNVNKGRJPS-LPHOPBHVSA-N 2 2 345.450 2.959 10 30 EFEELP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000153319812 526587136 /nfs/dbraw/zinc/58/71/36/526587136.db2.gz HMPHYXROQXJSTG-WMZOPIPTSA-N 2 2 345.491 2.516 10 30 EFEELP N#Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000090107621 526675730 /nfs/dbraw/zinc/67/57/30/526675730.db2.gz UKPSAOSFMJSCTD-UHFFFAOYSA-N 2 2 336.439 2.586 10 30 EFEELP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364448502 536420739 /nfs/dbraw/zinc/42/07/39/536420739.db2.gz QLXXFDKZWFGPPV-LJQANCHMSA-N 2 2 336.439 2.587 10 30 EFEELP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364448502 536420744 /nfs/dbraw/zinc/42/07/44/536420744.db2.gz QLXXFDKZWFGPPV-LJQANCHMSA-N 2 2 336.439 2.587 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1 ZINC000769486461 577366538 /nfs/dbraw/zinc/36/65/38/577366538.db2.gz AHVJAZBLIARNIX-HNNXBMFYSA-N 2 2 331.485 2.860 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691386481 1248721518 /nfs/dbraw/zinc/72/15/18/1248721518.db2.gz VIORJQYQHHUOHY-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691386481 1248721523 /nfs/dbraw/zinc/72/15/23/1248721523.db2.gz VIORJQYQHHUOHY-MSOLQXFVSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691386483 1248721607 /nfs/dbraw/zinc/72/16/07/1248721607.db2.gz VIORJQYQHHUOHY-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691386483 1248721614 /nfs/dbraw/zinc/72/16/14/1248721614.db2.gz VIORJQYQHHUOHY-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267898571 1249561990 /nfs/dbraw/zinc/56/19/90/1249561990.db2.gz XXTCVBGEKDWCGW-INIZCTEOSA-N 2 2 332.492 2.872 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(Br)cc1F ZINC001772516033 1247930136 /nfs/dbraw/zinc/93/01/36/1247930136.db2.gz QITIXGVUDCYIOA-UHFFFAOYSA-N 2 2 343.240 2.642 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(Br)cc1F ZINC001772516033 1247930140 /nfs/dbraw/zinc/93/01/40/1247930140.db2.gz QITIXGVUDCYIOA-UHFFFAOYSA-N 2 2 343.240 2.642 10 30 EFEELP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691086498 1248383557 /nfs/dbraw/zinc/38/35/57/1248383557.db2.gz RQKFUSRTLQBLPP-QZTJIDSGSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691086498 1248383569 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ZINC001277294245 1311938225 /nfs/dbraw/zinc/93/82/25/1311938225.db2.gz JBOVWYQBYDQEEI-OALUTQOASA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001277294247 1311938382 /nfs/dbraw/zinc/93/83/82/1311938382.db2.gz JBOVWYQBYDQEEI-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001277294247 1311938384 /nfs/dbraw/zinc/93/83/84/1311938384.db2.gz JBOVWYQBYDQEEI-RTBURBONSA-N 2 2 344.503 2.942 10 30 EFEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806033 1312122364 /nfs/dbraw/zinc/12/23/64/1312122364.db2.gz HZXOSTKFGZTQAL-JZXOWHBKSA-N 2 2 330.476 2.741 10 30 EFEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806033 1312122367 /nfs/dbraw/zinc/12/23/67/1312122367.db2.gz HZXOSTKFGZTQAL-JZXOWHBKSA-N 2 2 330.476 2.741 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001280823594 1312559527 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XIEXDFRTRRHIDC-ODIFPOPNSA-N 2 2 331.460 2.566 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001316599009 1317392856 /nfs/dbraw/zinc/39/28/56/1317392856.db2.gz NXDONCUETLZEMC-MSOLQXFVSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001316599009 1317392865 /nfs/dbraw/zinc/39/28/65/1317392865.db2.gz NXDONCUETLZEMC-MSOLQXFVSA-N 2 2 346.519 2.949 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001280082794 1317448607 /nfs/dbraw/zinc/44/86/07/1317448607.db2.gz FZNRZQLHNSNOIK-QZTJIDSGSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001280082796 1317449024 /nfs/dbraw/zinc/44/90/24/1317449024.db2.gz FZNRZQLHNSNOIK-ZWKOTPCHSA-N 2 2 332.492 2.875 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001318802345 1328703742 /nfs/dbraw/zinc/70/37/42/1328703742.db2.gz ALFGCPLDXXYTDA-QZTJIDSGSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001281393803 1318257041 /nfs/dbraw/zinc/25/70/41/1318257041.db2.gz FUMIOCHDIFWCFT-YOEHRIQHSA-N 2 2 326.444 2.659 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001318976314 1328754026 /nfs/dbraw/zinc/75/40/26/1328754026.db2.gz LODAJDOJQFYURN-YVSFHVDLSA-N 2 2 332.492 2.960 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001318976314 1328754029 /nfs/dbraw/zinc/75/40/29/1328754029.db2.gz LODAJDOJQFYURN-YVSFHVDLSA-N 2 2 332.492 2.960 10 30 EFEELP C=CC[NH+]1CCC(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001319020698 1328766031 /nfs/dbraw/zinc/76/60/31/1328766031.db2.gz IPRRXECCPMLFDP-UHFFFAOYSA-N 2 2 326.444 2.661 10 30 EFEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001281844824 1318603191 /nfs/dbraw/zinc/60/31/91/1318603191.db2.gz FCOUZORLDAYFLL-UHFFFAOYSA-N 2 2 332.492 2.824 10 30 EFEELP 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C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001282959541 1319219410 /nfs/dbraw/zinc/21/94/10/1319219410.db2.gz VAYRTXJXVJRCLD-RCCFBDPRSA-N 2 2 344.503 2.915 10 30 EFEELP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001283449487 1319710355 /nfs/dbraw/zinc/71/03/55/1319710355.db2.gz KUKCTBYESRRQAV-FUHWJXTLSA-N 2 2 332.492 2.532 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC001284057232 1320170452 /nfs/dbraw/zinc/17/04/52/1320170452.db2.gz KJCNSVMXOSHJII-FUHIMQAGSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC001284057232 1320170455 /nfs/dbraw/zinc/17/04/55/1320170455.db2.gz KJCNSVMXOSHJII-FUHIMQAGSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001284057234 1320170677 /nfs/dbraw/zinc/17/06/77/1320170677.db2.gz KJCNSVMXOSHJII-SQGPQFPESA-N 2 2 342.487 2.525 10 30 EFEELP 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ZINC001491810086 1323958875 /nfs/dbraw/zinc/95/88/75/1323958875.db2.gz FTSVKXMRLHDDPC-ZWKOTPCHSA-N 2 2 332.492 2.875 10 30 EFEELP C=CC[C@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001308389129 1324817529 /nfs/dbraw/zinc/81/75/29/1324817529.db2.gz XJWGJIRNINQDGC-OAHLLOKOSA-N 2 2 335.835 2.642 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316699060 1324990890 /nfs/dbraw/zinc/99/08/90/1324990890.db2.gz DHFHXNGOOYROPD-NUJGCVRESA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316699060 1324990895 /nfs/dbraw/zinc/99/08/95/1324990895.db2.gz DHFHXNGOOYROPD-NUJGCVRESA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316699061 1324991584 /nfs/dbraw/zinc/99/15/84/1324991584.db2.gz DHFHXNGOOYROPD-RYRKJORJSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316699061 1324991586 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GQJQMMMPNWCOIX-INIZCTEOSA-N 2 2 332.492 2.915 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001316982713 1325443489 /nfs/dbraw/zinc/44/34/89/1325443489.db2.gz OXPCTASTCRXTLE-IRXDYDNUSA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001316982713 1325443493 /nfs/dbraw/zinc/44/34/93/1325443493.db2.gz OXPCTASTCRXTLE-IRXDYDNUSA-N 2 2 332.492 2.606 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316982935 1325444910 /nfs/dbraw/zinc/44/49/10/1325444910.db2.gz QINOXNBGMWBQCX-KRWDZBQOSA-N 2 2 332.492 2.864 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316982935 1325444916 /nfs/dbraw/zinc/44/49/16/1325444916.db2.gz QINOXNBGMWBQCX-KRWDZBQOSA-N 2 2 332.492 2.864 10 30 EFEELP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317037718 1325503612 /nfs/dbraw/zinc/50/36/12/1325503612.db2.gz YDXTWPGPXLIDHT-MRXNPFEDSA-N 2 2 326.444 2.613 10 30 EFEELP 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AECZZACHUQIBPS-PXNSSMCTSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001325920806 1329725060 /nfs/dbraw/zinc/72/50/60/1329725060.db2.gz MYPYPBAUODQNDI-CVEARBPZSA-N 2 2 330.476 2.719 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001325920806 1329725061 /nfs/dbraw/zinc/72/50/61/1329725061.db2.gz MYPYPBAUODQNDI-CVEARBPZSA-N 2 2 330.476 2.719 10 30 EFEELP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001326480760 1329759590 /nfs/dbraw/zinc/75/95/90/1329759590.db2.gz NHULNMSYFCQGTN-DLBZAZTESA-N 2 2 338.455 2.825 10 30 EFEELP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001326492607 1330304431 /nfs/dbraw/zinc/30/44/31/1330304431.db2.gz JNQONBCHCOFOIM-OAQYLSRUSA-N 2 2 349.478 2.671 10 30 EFEELP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001326492607 1330304436 /nfs/dbraw/zinc/30/44/36/1330304436.db2.gz JNQONBCHCOFOIM-OAQYLSRUSA-N 2 2 349.478 2.671 10 30 EFEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328736681 1330623366 /nfs/dbraw/zinc/62/33/66/1330623366.db2.gz LJEXTIPURALWFP-QGZVFWFLSA-N 2 2 326.444 2.755 10 30 EFEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328736681 1330623368 /nfs/dbraw/zinc/62/33/68/1330623368.db2.gz LJEXTIPURALWFP-QGZVFWFLSA-N 2 2 326.444 2.755 10 30 EFEELP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001329577016 1330720335 /nfs/dbraw/zinc/72/03/35/1330720335.db2.gz VVWOSPXLPUJTRM-MRXNPFEDSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCCC[N@H+](C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001329577016 1330720336 /nfs/dbraw/zinc/72/03/36/1330720336.db2.gz VVWOSPXLPUJTRM-MRXNPFEDSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001331585150 1330856630 /nfs/dbraw/zinc/85/66/30/1330856630.db2.gz MXXFZZDYPUHETA-MRXNPFEDSA-N 2 2 328.460 2.588 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001332276280 1330951562 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WBGYXHCJBPTSQQ-SFHVURJKSA-N 2 2 336.439 2.742 10 30 EFEELP C=C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccccc1 ZINC001347144067 1332720641 /nfs/dbraw/zinc/72/06/41/1332720641.db2.gz WBGYXHCJBPTSQQ-GOSISDBHSA-N 2 2 336.439 2.742 10 30 EFEELP CC1(C)CC(=NNCCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000848416444 1334713290 /nfs/dbraw/zinc/71/32/90/1334713290.db2.gz LHQFQVQHTYQOGN-UHFFFAOYSA-N 2 2 325.460 2.903 10 30 EFEELP CC1(C)CC(=NNCCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000848416444 1334713292 /nfs/dbraw/zinc/71/32/92/1334713292.db2.gz LHQFQVQHTYQOGN-UHFFFAOYSA-N 2 2 325.460 2.903 10 30 EFEELP CC(=NNCCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848419545 1334715293 /nfs/dbraw/zinc/71/52/93/1334715293.db2.gz YTTBMJLKGNLJFY-IBGZPJMESA-N 2 2 325.460 2.761 10 30 EFEELP CC(=NNCCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848419545 1334715296 /nfs/dbraw/zinc/71/52/96/1334715296.db2.gz YTTBMJLKGNLJFY-IBGZPJMESA-N 2 2 325.460 2.761 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001366220370 1337454105 /nfs/dbraw/zinc/45/41/05/1337454105.db2.gz NLBWTSOPMHTYCW-HNNXBMFYSA-N 2 2 338.883 2.650 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001368402843 1339341485 /nfs/dbraw/zinc/34/14/85/1339341485.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001368402843 1339341489 /nfs/dbraw/zinc/34/14/89/1339341489.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368402843 1339341492 /nfs/dbraw/zinc/34/14/92/1339341492.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368402843 1339341498 /nfs/dbraw/zinc/34/14/98/1339341498.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 2 335.879 2.581 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001368705238 1339624130 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LUCXTKAUMCXVBM-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001379723616 1347287006 /nfs/dbraw/zinc/28/70/06/1347287006.db2.gz LUCXTKAUMCXVBM-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001379723616 1347287008 /nfs/dbraw/zinc/28/70/08/1347287008.db2.gz LUCXTKAUMCXVBM-WBVHZDCISA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001381515765 1348324394 /nfs/dbraw/zinc/32/43/94/1348324394.db2.gz KYVQFTYBXNABPD-CVEARBPZSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001381515765 1348324398 /nfs/dbraw/zinc/32/43/98/1348324398.db2.gz KYVQFTYBXNABPD-CVEARBPZSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001381515765 1348324401 /nfs/dbraw/zinc/32/44/01/1348324401.db2.gz KYVQFTYBXNABPD-CVEARBPZSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001381515765 1348324403 /nfs/dbraw/zinc/32/44/03/1348324403.db2.gz KYVQFTYBXNABPD-CVEARBPZSA-N 2 2 341.927 2.830 10 30 EFEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001388679899 1352915115 /nfs/dbraw/zinc/91/51/15/1352915115.db2.gz AOVLLNCLSYQIEI-OWCLPIDISA-N 2 2 338.883 2.707 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001390071262 1353784081 /nfs/dbraw/zinc/78/40/81/1353784081.db2.gz CYSSUAGHGXBYOQ-OAHLLOKOSA-N 2 2 338.883 2.507 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001393478423 1356878929 /nfs/dbraw/zinc/87/89/29/1356878929.db2.gz MAAYALGUPQSXLB-UHFFFAOYSA-N 2 2 346.862 2.692 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001393478423 1356878932 /nfs/dbraw/zinc/87/89/32/1356878932.db2.gz MAAYALGUPQSXLB-UHFFFAOYSA-N 2 2 346.862 2.692 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001400128153 1361761143 /nfs/dbraw/zinc/76/11/43/1361761143.db2.gz KEDDZVXUMKMMLU-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001400128153 1361761144 /nfs/dbraw/zinc/76/11/44/1361761144.db2.gz KEDDZVXUMKMMLU-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001400128153 1361761146 /nfs/dbraw/zinc/76/11/46/1361761146.db2.gz KEDDZVXUMKMMLU-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001400128153 1361761147 /nfs/dbraw/zinc/76/11/47/1361761147.db2.gz KEDDZVXUMKMMLU-DLBZAZTESA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001404014678 1365168890 /nfs/dbraw/zinc/16/88/90/1365168890.db2.gz YKBZCZHTMOZVKX-CVEARBPZSA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001404014678 1365168894 /nfs/dbraw/zinc/16/88/94/1365168894.db2.gz YKBZCZHTMOZVKX-CVEARBPZSA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001405185616 1366095968 /nfs/dbraw/zinc/09/59/68/1366095968.db2.gz OZCQSMIXAQAMMK-SJORKVTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001405185616 1366095970 /nfs/dbraw/zinc/09/59/70/1366095970.db2.gz OZCQSMIXAQAMMK-SJORKVTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001407514170 1368927918 /nfs/dbraw/zinc/92/79/18/1368927918.db2.gz PXZMMGWFXVBFDA-SFHVURJKSA-N 2 2 349.906 2.844 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001407553610 1368979095 /nfs/dbraw/zinc/97/90/95/1368979095.db2.gz VDBKHMPUUHHGEV-SMDDNHRTSA-N 2 2 332.835 2.613 10 30 EFEELP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001426186256 1384053520 /nfs/dbraw/zinc/05/35/20/1384053520.db2.gz BMACZKDMXVOLME-CABCVRRESA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001426186262 1384053800 /nfs/dbraw/zinc/05/38/00/1384053800.db2.gz BMACZKDMXVOLME-GJZGRUSLSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001440527363 1389729356 /nfs/dbraw/zinc/72/93/56/1389729356.db2.gz CCYHGGLEHGYRAK-ZDUSSCGKSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001440527363 1389729361 /nfs/dbraw/zinc/72/93/61/1389729361.db2.gz CCYHGGLEHGYRAK-ZDUSSCGKSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001448147116 1391988353 /nfs/dbraw/zinc/98/83/53/1391988353.db2.gz VSQQBSXWUZXFLQ-HZPDHXFCSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001448147116 1391988358 /nfs/dbraw/zinc/98/83/58/1391988358.db2.gz VSQQBSXWUZXFLQ-HZPDHXFCSA-N 2 2 329.916 2.686 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479528497 1397751337 /nfs/dbraw/zinc/75/13/37/1397751337.db2.gz MZWBIFWKMBIQEX-YJBOKZPZSA-N 2 2 332.492 2.834 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001479711690 1397775607 /nfs/dbraw/zinc/77/56/07/1397775607.db2.gz YMOUQCGCDPHIPA-AOIWGVFYSA-N 2 2 346.519 2.995 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001479711690 1397775609 /nfs/dbraw/zinc/77/56/09/1397775609.db2.gz YMOUQCGCDPHIPA-AOIWGVFYSA-N 2 2 346.519 2.995 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001479748301 1397809640 /nfs/dbraw/zinc/80/96/40/1397809640.db2.gz RVXUWCXZCWSJLL-JKSUJKDBSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001479748301 1397809648 /nfs/dbraw/zinc/80/96/48/1397809648.db2.gz RVXUWCXZCWSJLL-JKSUJKDBSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001479748298 1397809718 /nfs/dbraw/zinc/80/97/18/1397809718.db2.gz RVXUWCXZCWSJLL-CVEARBPZSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001479748298 1397809722 /nfs/dbraw/zinc/80/97/22/1397809722.db2.gz RVXUWCXZCWSJLL-CVEARBPZSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001479990050 1398075477 /nfs/dbraw/zinc/07/54/77/1398075477.db2.gz XVAGXHQPEFPHGT-NVXWUHKLSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001479990050 1398075486 /nfs/dbraw/zinc/07/54/86/1398075486.db2.gz XVAGXHQPEFPHGT-NVXWUHKLSA-N 2 2 330.476 2.525 10 30 EFEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001480616159 1398250167 /nfs/dbraw/zinc/25/01/67/1398250167.db2.gz GEIVSYOPKWTEOA-IRXDYDNUSA-N 2 2 332.492 2.606 10 30 EFEELP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001494199239 1399207751 /nfs/dbraw/zinc/20/77/51/1399207751.db2.gz XRHUWZFYMZLBIT-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001494199239 1399207749 /nfs/dbraw/zinc/20/77/49/1399207749.db2.gz XRHUWZFYMZLBIT-GOSISDBHSA-N 2 2 344.503 2.582 10 30 EFEELP C=C(C)CC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001495323729 1399846959 /nfs/dbraw/zinc/84/69/59/1399846959.db2.gz GRBCYZLOTFHNHA-QFBILLFUSA-N 2 2 332.492 2.584 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001496324120 1400639874 /nfs/dbraw/zinc/63/98/74/1400639874.db2.gz NKXYWEQNWLSSCP-AEFFLSMTSA-N 2 2 330.476 2.512 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001496406478 1400710778 /nfs/dbraw/zinc/71/07/78/1400710778.db2.gz JYTDCDJEUPYCHR-GOSISDBHSA-N 2 2 345.487 2.960 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001497940016 1401757177 /nfs/dbraw/zinc/75/71/77/1401757177.db2.gz HBCSPYFRLHDVDA-HZPDHXFCSA-N 2 2 328.460 2.634 10 30 EFEELP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001499570518 1402690017 /nfs/dbraw/zinc/69/00/17/1402690017.db2.gz PYHNZGIJLRBTRW-QUCCMNQESA-N 2 2 344.503 2.971 10 30 EFEELP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001499570518 1402690018 /nfs/dbraw/zinc/69/00/18/1402690018.db2.gz PYHNZGIJLRBTRW-QUCCMNQESA-N 2 2 344.503 2.971 10 30 EFEELP C=CC[NH2+]C1(CNC(=O)CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001508085870 1407289860 /nfs/dbraw/zinc/28/98/60/1407289860.db2.gz BBKBQCPKZUNAGY-UHFFFAOYSA-N 2 2 341.499 2.713 10 30 EFEELP CCCCCCC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001500003852 1402893726 /nfs/dbraw/zinc/89/37/26/1402893726.db2.gz XKQOEIYYWUGRDJ-UHFFFAOYSA-N 2 2 334.508 2.904 10 30 EFEELP C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC001500060448 1402918035 /nfs/dbraw/zinc/91/80/35/1402918035.db2.gz QEJMVHDLBGPKBI-FQEVSTJZSA-N 2 2 348.450 2.749 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500265479 1403016632 /nfs/dbraw/zinc/01/66/32/1403016632.db2.gz SDGQUPWWXCTJMN-WBVHZDCISA-N 2 2 327.900 2.584 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500265479 1403016637 /nfs/dbraw/zinc/01/66/37/1403016637.db2.gz SDGQUPWWXCTJMN-WBVHZDCISA-N 2 2 327.900 2.584 10 30 EFEELP C=CC[NH+]1CCC(C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001500430909 1403117233 /nfs/dbraw/zinc/11/72/33/1403117233.db2.gz BROWUTZPXYLEDV-KRWDZBQOSA-N 2 2 332.492 2.875 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001508163131 1407323772 /nfs/dbraw/zinc/32/37/72/1407323772.db2.gz UFNFDQMDGXXYTA-INIZCTEOSA-N 2 2 344.503 2.678 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501054501 1403422824 /nfs/dbraw/zinc/42/28/24/1403422824.db2.gz SOPSMSOTNWWVMF-CABCVRRESA-N 2 2 326.444 2.969 10 30 EFEELP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C2 ZINC001501173305 1403474827 /nfs/dbraw/zinc/47/48/27/1403474827.db2.gz AZNJBCCFNWCHMX-BCDXTJNWSA-N 2 2 330.476 2.599 10 30 EFEELP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C2 ZINC001501173305 1403474828 /nfs/dbraw/zinc/47/48/28/1403474828.db2.gz AZNJBCCFNWCHMX-BCDXTJNWSA-N 2 2 330.476 2.599 10 30 EFEELP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001501196209 1403487935 /nfs/dbraw/zinc/48/79/35/1403487935.db2.gz VESXKZIZAHCMCD-UHFFFAOYSA-N 2 2 346.434 2.590 10 30 EFEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001501679502 1403711108 /nfs/dbraw/zinc/71/11/08/1403711108.db2.gz QSVMRVSPVKEIAQ-OAHLLOKOSA-N 2 2 332.407 2.548 10 30 EFEELP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001505416817 1404577945 /nfs/dbraw/zinc/57/79/45/1404577945.db2.gz YPVFLLFNASFFDR-GDIGMMSISA-N 2 2 338.455 2.536 10 30 EFEELP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001505416817 1404577950 /nfs/dbraw/zinc/57/79/50/1404577950.db2.gz YPVFLLFNASFFDR-GDIGMMSISA-N 2 2 338.455 2.536 10 30 EFEELP CC#CC[NH2+]CC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001506528161 1405911980 /nfs/dbraw/zinc/91/19/80/1405911980.db2.gz KULPIZXXBXZGLP-SFHVURJKSA-N 2 2 344.503 2.902 10 30 EFEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001506633001 1406070471 /nfs/dbraw/zinc/07/04/71/1406070471.db2.gz OWUZKMNWNTWAKL-IAGOWNOFSA-N 2 2 344.503 2.628 10 30 EFEELP C=CC1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001560630871 1415292970 /nfs/dbraw/zinc/29/29/70/1415292970.db2.gz MOFGQSHSNIRSNW-UHFFFAOYSA-N 2 2 330.472 2.796 10 30 EFEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC)cc1C(F)(F)F ZINC001560859087 1415299590 /nfs/dbraw/zinc/29/95/90/1415299590.db2.gz BFXFFNFERUBRIL-UHFFFAOYSA-N 2 2 342.361 2.537 10 30 EFEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC)cc1C(F)(F)F ZINC001560859087 1415299594 /nfs/dbraw/zinc/29/95/94/1415299594.db2.gz BFXFFNFERUBRIL-UHFFFAOYSA-N 2 2 342.361 2.537 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001565819969 1415419176 /nfs/dbraw/zinc/41/91/76/1415419176.db2.gz WCTDEZXWCXXVDS-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001565819969 1415419178 /nfs/dbraw/zinc/41/91/78/1415419178.db2.gz WCTDEZXWCXXVDS-QZTJIDSGSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001565843011 1415430652 /nfs/dbraw/zinc/43/06/52/1415430652.db2.gz AGVSWAMXVQRCME-ZACQAIPSSA-N 2 2 344.503 2.601 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001566071148 1415503286 /nfs/dbraw/zinc/50/32/86/1415503286.db2.gz LPVQRNNXNSGHCB-ZWKOTPCHSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001566590716 1415675306 /nfs/dbraw/zinc/67/53/06/1415675306.db2.gz UKPWCYURQOMHAW-UHFFFAOYSA-N 2 2 338.883 2.650 10 30 EFEELP C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001566590716 1415675307 /nfs/dbraw/zinc/67/53/07/1415675307.db2.gz UKPWCYURQOMHAW-UHFFFAOYSA-N 2 2 338.883 2.650 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001566609436 1415693791 /nfs/dbraw/zinc/69/37/91/1415693791.db2.gz VJJJLOHKTHCTAU-MRXNPFEDSA-N 2 2 345.487 2.910 10 30 EFEELP CC#CC[NH+]1CCC(N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001566697834 1415737831 /nfs/dbraw/zinc/73/78/31/1415737831.db2.gz PFFVJRHDZZBQCT-UHFFFAOYSA-N 2 2 338.455 2.903 10 30 EFEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001566755895 1415764252 /nfs/dbraw/zinc/76/42/52/1415764252.db2.gz VQQZSXUBDJGKCC-QXDIGNSFSA-N 2 2 342.487 2.554 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001566755895 1415764254 /nfs/dbraw/zinc/76/42/54/1415764254.db2.gz VQQZSXUBDJGKCC-QXDIGNSFSA-N 2 2 342.487 2.554 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001566839101 1415795095 /nfs/dbraw/zinc/79/50/95/1415795095.db2.gz MZLJRXSKEBMZBZ-XYPHTWIQSA-N 2 2 326.444 2.848 10 30 EFEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001566900112 1415832512 /nfs/dbraw/zinc/83/25/12/1415832512.db2.gz MSLUXVZQVCPXOO-DLBZAZTESA-N 2 2 332.492 2.536 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCCCC ZINC001566923795 1415849451 /nfs/dbraw/zinc/84/94/51/1415849451.db2.gz ZQBYIXWRNGDHAP-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCCCC ZINC001566923795 1415849458 /nfs/dbraw/zinc/84/94/58/1415849458.db2.gz ZQBYIXWRNGDHAP-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCCCC ZINC001566923795 1415849463 /nfs/dbraw/zinc/84/94/63/1415849463.db2.gz ZQBYIXWRNGDHAP-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCCCC ZINC001566923795 1415849471 /nfs/dbraw/zinc/84/94/71/1415849471.db2.gz ZQBYIXWRNGDHAP-OALUTQOASA-N 2 2 333.520 2.635 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566966847 1415879415 /nfs/dbraw/zinc/87/94/15/1415879415.db2.gz ABGFVJGWDCXWAS-QZTJIDSGSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566966847 1415879418 /nfs/dbraw/zinc/87/94/18/1415879418.db2.gz ABGFVJGWDCXWAS-QZTJIDSGSA-N 2 2 332.492 2.846 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001567370034 1416099557 /nfs/dbraw/zinc/09/95/57/1416099557.db2.gz KDJWJJSTNJDSHK-ROUUACIJSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001567370034 1416099559 /nfs/dbraw/zinc/09/95/59/1416099559.db2.gz KDJWJJSTNJDSHK-ROUUACIJSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCC[C@H](C)[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001567444741 1416141556 /nfs/dbraw/zinc/14/15/56/1416141556.db2.gz TVYSDOBQMZNBIV-HNNXBMFYSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[C@H](C)[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001567444741 1416141560 /nfs/dbraw/zinc/14/15/60/1416141560.db2.gz TVYSDOBQMZNBIV-HNNXBMFYSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001567628082 1416216676 /nfs/dbraw/zinc/21/66/76/1416216676.db2.gz IUEMOJGYZGSEGM-IAGOWNOFSA-N 2 2 346.519 2.924 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001567712603 1416257453 /nfs/dbraw/zinc/25/74/53/1416257453.db2.gz WZLMDVGEFGJJNH-QGZVFWFLSA-N 2 2 340.471 2.590 10 30 EFEELP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001567712603 1416257455 /nfs/dbraw/zinc/25/74/55/1416257455.db2.gz WZLMDVGEFGJJNH-QGZVFWFLSA-N 2 2 340.471 2.590 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567858616 1416301161 /nfs/dbraw/zinc/30/11/61/1416301161.db2.gz PMTZSMOILYSYDP-OKZBNKHCSA-N 2 2 330.476 2.722 10 30 EFEELP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567858616 1416301164 /nfs/dbraw/zinc/30/11/64/1416301164.db2.gz PMTZSMOILYSYDP-OKZBNKHCSA-N 2 2 330.476 2.722 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001568069337 1416392791 /nfs/dbraw/zinc/39/27/91/1416392791.db2.gz MHXNILFLLGQVSG-CVEARBPZSA-N 2 2 338.883 2.805 10 30 EFEELP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001568126937 1416420287 /nfs/dbraw/zinc/42/02/87/1416420287.db2.gz VKBWVTPREJQCBP-SFHVURJKSA-N 2 2 344.503 2.630 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001690096564 1417152401 /nfs/dbraw/zinc/15/24/01/1417152401.db2.gz LSXPAAHAEYYTKQ-IAGOWNOFSA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001690096564 1417152402 /nfs/dbraw/zinc/15/24/02/1417152402.db2.gz LSXPAAHAEYYTKQ-IAGOWNOFSA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001690719609 1417230774 /nfs/dbraw/zinc/23/07/74/1417230774.db2.gz VJTHORDSRPOVRY-MSOLQXFVSA-N 2 2 346.519 2.854 10 30 EFEELP C=C(C)CC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001698662408 1417308933 /nfs/dbraw/zinc/30/89/33/1417308933.db2.gz MFBJVPVGZZRJLZ-DNVCBOLYSA-N 2 2 332.492 2.882 10 30 EFEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699138415 1417400999 /nfs/dbraw/zinc/40/09/99/1417400999.db2.gz AUMFCLGRIMGPBI-INIZCTEOSA-N 2 2 346.434 2.713 10 30 EFEELP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001700867049 1417668025 /nfs/dbraw/zinc/66/80/25/1417668025.db2.gz KZLLJOWBIMLSRZ-QGPMSJSTSA-N 2 2 338.455 2.969 10 30 EFEELP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001713184716 1418365295 /nfs/dbraw/zinc/36/52/95/1418365295.db2.gz OGCQBCCOKSSRAW-ROUUACIJSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001713184716 1418365300 /nfs/dbraw/zinc/36/53/00/1418365300.db2.gz OGCQBCCOKSSRAW-ROUUACIJSA-N 2 2 330.476 2.552 10 30 EFEELP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001713271856 1418440010 /nfs/dbraw/zinc/44/00/10/1418440010.db2.gz OBPJUZJPMSJVKQ-ROUUACIJSA-N 2 2 330.476 2.695 10 30 EFEELP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001713271856 1418440021 /nfs/dbraw/zinc/44/00/21/1418440021.db2.gz OBPJUZJPMSJVKQ-ROUUACIJSA-N 2 2 330.476 2.695 10 30 EFEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001713681710 1418567253 /nfs/dbraw/zinc/56/72/53/1418567253.db2.gz LNDXLVBDCHCVED-HZPDHXFCSA-N 2 2 332.492 2.771 10 30 EFEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001713681710 1418567257 /nfs/dbraw/zinc/56/72/57/1418567257.db2.gz LNDXLVBDCHCVED-HZPDHXFCSA-N 2 2 332.492 2.771 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713720916 1418571698 /nfs/dbraw/zinc/57/16/98/1418571698.db2.gz GFARIMVPDQRFLX-DOTOQJQBSA-N 2 2 332.492 2.928 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713720916 1418571705 /nfs/dbraw/zinc/57/17/05/1418571705.db2.gz GFARIMVPDQRFLX-DOTOQJQBSA-N 2 2 332.492 2.928 10 30 EFEELP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001715175774 1418656009 /nfs/dbraw/zinc/65/60/09/1418656009.db2.gz JVPJDERLXKWJSW-INIZCTEOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001715303915 1418661486 /nfs/dbraw/zinc/66/14/86/1418661486.db2.gz NZKMADXTAMEBPW-BZUAXINKSA-N 2 2 330.476 2.887 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001715303915 1418661488 /nfs/dbraw/zinc/66/14/88/1418661488.db2.gz NZKMADXTAMEBPW-BZUAXINKSA-N 2 2 330.476 2.887 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001715407695 1418672543 /nfs/dbraw/zinc/67/25/43/1418672543.db2.gz AJNVFWKJTCZKOP-FUHWJXTLSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001716708259 1418966762 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GQFYRABGCUKECO-PXNSSMCTSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001716731188 1418981504 /nfs/dbraw/zinc/98/15/04/1418981504.db2.gz GQFYRABGCUKECO-PXNSSMCTSA-N 2 2 344.503 2.632 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001716763237 1418996054 /nfs/dbraw/zinc/99/60/54/1418996054.db2.gz DIPFYQXNMATAKH-HZPDHXFCSA-N 2 2 326.444 2.883 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001716795702 1419013503 /nfs/dbraw/zinc/01/35/03/1419013503.db2.gz AJMKKAKXYQSGFN-IAGOWNOFSA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716867081 1419064899 /nfs/dbraw/zinc/06/48/99/1419064899.db2.gz NWAJHTUFTYQEPL-IBGZPJMESA-N 2 2 326.444 2.971 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717031596 1419162127 /nfs/dbraw/zinc/16/21/27/1419162127.db2.gz JMNZVVZOGPYIGM-JOCBIADPSA-N 2 2 328.460 2.545 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717031596 1419162130 /nfs/dbraw/zinc/16/21/30/1419162130.db2.gz JMNZVVZOGPYIGM-JOCBIADPSA-N 2 2 328.460 2.545 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717031596 1419162134 /nfs/dbraw/zinc/16/21/34/1419162134.db2.gz JMNZVVZOGPYIGM-JOCBIADPSA-N 2 2 328.460 2.545 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717031596 1419162137 /nfs/dbraw/zinc/16/21/37/1419162137.db2.gz JMNZVVZOGPYIGM-JOCBIADPSA-N 2 2 328.460 2.545 10 30 EFEELP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001717113165 1419217632 /nfs/dbraw/zinc/21/76/32/1419217632.db2.gz GZLNVNPLXPHQGG-HNNXBMFYSA-N 2 2 326.444 2.523 10 30 EFEELP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001717113165 1419217636 /nfs/dbraw/zinc/21/76/36/1419217636.db2.gz GZLNVNPLXPHQGG-HNNXBMFYSA-N 2 2 326.444 2.523 10 30 EFEELP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717116605 1419220793 /nfs/dbraw/zinc/22/07/93/1419220793.db2.gz LVQOUCIXTYFOAT-UHFFFAOYSA-N 2 2 340.471 2.975 10 30 EFEELP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717116605 1419220797 /nfs/dbraw/zinc/22/07/97/1419220797.db2.gz LVQOUCIXTYFOAT-UHFFFAOYSA-N 2 2 340.471 2.975 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717123148 1419224682 /nfs/dbraw/zinc/22/46/82/1419224682.db2.gz BAANQSFHARFBKT-WKILWMFISA-N 2 2 326.444 2.789 10 30 EFEELP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001717246478 1419289228 /nfs/dbraw/zinc/28/92/28/1419289228.db2.gz NCUUCWUSPMLJNK-UYAOXDASSA-N 2 2 344.503 2.971 10 30 EFEELP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001717246478 1419289232 /nfs/dbraw/zinc/28/92/32/1419289232.db2.gz NCUUCWUSPMLJNK-UYAOXDASSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCCC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717298926 1419314261 /nfs/dbraw/zinc/31/42/61/1419314261.db2.gz AYACKRFWNKCHCM-UHFFFAOYSA-N 2 2 326.444 2.885 10 30 EFEELP CCCCCCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001717303429 1419316088 /nfs/dbraw/zinc/31/60/88/1419316088.db2.gz OPRDDHQECKWLJD-UHFFFAOYSA-N 2 2 334.508 2.904 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367960 1419360923 /nfs/dbraw/zinc/36/09/23/1419360923.db2.gz UXELPIBWHQZYFT-KRWDZBQOSA-N 2 2 332.492 2.816 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367960 1419360927 /nfs/dbraw/zinc/36/09/27/1419360927.db2.gz UXELPIBWHQZYFT-KRWDZBQOSA-N 2 2 332.492 2.816 10 30 EFEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001717448042 1419398315 /nfs/dbraw/zinc/39/83/15/1419398315.db2.gz YISVYUASKSKSOB-AOCRQIFASA-N 2 2 344.503 2.771 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001717835626 1419565272 /nfs/dbraw/zinc/56/52/72/1419565272.db2.gz BYNSPRRATPBREK-YVWKXTFCSA-N 2 2 342.487 2.525 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001717835626 1419565273 /nfs/dbraw/zinc/56/52/73/1419565273.db2.gz BYNSPRRATPBREK-YVWKXTFCSA-N 2 2 342.487 2.525 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001717959893 1419629728 /nfs/dbraw/zinc/62/97/28/1419629728.db2.gz RLXINQQZFMPZFE-MRXNPFEDSA-N 2 2 328.460 2.953 10 30 EFEELP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001717959892 1419629836 /nfs/dbraw/zinc/62/98/36/1419629836.db2.gz RLXINQQZFMPZFE-INIZCTEOSA-N 2 2 328.460 2.953 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001723632942 1424540769 /nfs/dbraw/zinc/54/07/69/1424540769.db2.gz BEZQDQKWAYXGDK-CVEARBPZSA-N 2 2 330.476 2.719 10 30 EFEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001723632942 1424540772 /nfs/dbraw/zinc/54/07/72/1424540772.db2.gz BEZQDQKWAYXGDK-CVEARBPZSA-N 2 2 330.476 2.719 10 30 EFEELP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001723718953 1424566373 /nfs/dbraw/zinc/56/63/73/1424566373.db2.gz MZWBUNHMOJFUJQ-ICSRJNTNSA-N 2 2 344.503 2.971 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001723718953 1424566378 /nfs/dbraw/zinc/56/63/78/1424566378.db2.gz MZWBUNHMOJFUJQ-ICSRJNTNSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001723764553 1424575929 /nfs/dbraw/zinc/57/59/29/1424575929.db2.gz YZAPLJRWXMVBSE-AWEZNQCLSA-N 2 2 326.444 2.754 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001724163916 1424684947 /nfs/dbraw/zinc/68/49/47/1424684947.db2.gz WRDFTISDIOMTBW-PXNSSMCTSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001724163916 1424684954 /nfs/dbraw/zinc/68/49/54/1424684954.db2.gz WRDFTISDIOMTBW-PXNSSMCTSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[NH+]1CCC(C)(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001724292288 1424722533 /nfs/dbraw/zinc/72/25/33/1424722533.db2.gz PKAYYLFCDWKPGV-UHFFFAOYSA-N 2 2 332.492 2.537 10 30 EFEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001724294668 1424724076 /nfs/dbraw/zinc/72/40/76/1424724076.db2.gz UVFKERSRMYYGCV-UHFFFAOYSA-N 2 2 326.444 2.971 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724341334 1424741863 /nfs/dbraw/zinc/74/18/63/1424741863.db2.gz TWQAWMATQYAEGK-QFBILLFUSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724341334 1424741865 /nfs/dbraw/zinc/74/18/65/1424741865.db2.gz TWQAWMATQYAEGK-QFBILLFUSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724341334 1424741866 /nfs/dbraw/zinc/74/18/66/1424741866.db2.gz TWQAWMATQYAEGK-QFBILLFUSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724341334 1424741867 /nfs/dbraw/zinc/74/18/67/1424741867.db2.gz TWQAWMATQYAEGK-QFBILLFUSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724341335 1424741882 /nfs/dbraw/zinc/74/18/82/1424741882.db2.gz TWQAWMATQYAEGK-VQIMIIECSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724341335 1424741883 /nfs/dbraw/zinc/74/18/83/1424741883.db2.gz TWQAWMATQYAEGK-VQIMIIECSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724341335 1424741884 /nfs/dbraw/zinc/74/18/84/1424741884.db2.gz TWQAWMATQYAEGK-VQIMIIECSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724341335 1424741885 /nfs/dbraw/zinc/74/18/85/1424741885.db2.gz TWQAWMATQYAEGK-VQIMIIECSA-N 2 2 332.492 2.773 10 30 EFEELP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001724658123 1424898902 /nfs/dbraw/zinc/89/89/02/1424898902.db2.gz UEIANULOZRQUGN-GBESFXJTSA-N 2 2 344.503 2.969 10 30 EFEELP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001724658123 1424898910 /nfs/dbraw/zinc/89/89/10/1424898910.db2.gz UEIANULOZRQUGN-GBESFXJTSA-N 2 2 344.503 2.969 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001724707286 1424926246 /nfs/dbraw/zinc/92/62/46/1424926246.db2.gz JTDCMNKVAQJTKJ-KRWDZBQOSA-N 2 2 344.503 2.556 10 30 EFEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001724742226 1424970778 /nfs/dbraw/zinc/97/07/78/1424970778.db2.gz LVNVSCDJFCSHLN-MRXNPFEDSA-N 2 2 346.434 2.857 10 30 EFEELP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001725039765 1425251237 /nfs/dbraw/zinc/25/12/37/1425251237.db2.gz HYZMSHXNRDGDET-QGZVFWFLSA-N 2 2 331.460 2.522 10 30 EFEELP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001725039765 1425251242 /nfs/dbraw/zinc/25/12/42/1425251242.db2.gz HYZMSHXNRDGDET-QGZVFWFLSA-N 2 2 331.460 2.522 10 30 EFEELP 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DUNBIBUVXGAPJQ-IRXDYDNUSA-N 2 2 332.492 2.719 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001569816143 1085635011 /nfs/dbraw/zinc/63/50/11/1085635011.db2.gz JPYLCMHDBBWBDH-HZPDHXFCSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001570032789 1085885023 /nfs/dbraw/zinc/88/50/23/1085885023.db2.gz CTLATBAIPGNBFL-OAHLLOKOSA-N 2 2 326.444 2.885 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001570275101 1086115673 /nfs/dbraw/zinc/11/56/73/1086115673.db2.gz PHKHBLUIAUMBQR-APWZRJJASA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001570275101 1086115679 /nfs/dbraw/zinc/11/56/79/1086115679.db2.gz PHKHBLUIAUMBQR-APWZRJJASA-N 2 2 330.476 2.621 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001570275102 1086116649 /nfs/dbraw/zinc/11/66/49/1086116649.db2.gz PHKHBLUIAUMBQR-LPHOPBHVSA-N 2 2 330.476 2.621 10 30 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C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001570932026 1086616484 /nfs/dbraw/zinc/61/64/84/1086616484.db2.gz NVMXNNUEMBVUMH-XLAORIBOSA-N 2 2 344.503 2.575 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001570932026 1086616486 /nfs/dbraw/zinc/61/64/86/1086616486.db2.gz NVMXNNUEMBVUMH-XLAORIBOSA-N 2 2 344.503 2.575 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001649466405 1092505073 /nfs/dbraw/zinc/50/50/73/1092505073.db2.gz YEITXXULIXZIKJ-ROUUACIJSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001649466405 1092505081 /nfs/dbraw/zinc/50/50/81/1092505081.db2.gz YEITXXULIXZIKJ-ROUUACIJSA-N 2 2 344.503 2.869 10 30 EFEELP C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001267361545 1094309949 /nfs/dbraw/zinc/30/99/49/1094309949.db2.gz BZSLZGZXRSEZTB-SFHVURJKSA-N 2 2 340.471 2.950 10 30 EFEELP 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ZINC001267871111 1099766794 /nfs/dbraw/zinc/76/67/94/1099766794.db2.gz CHKABKOLHIRWKX-HKUYNNGSSA-N 2 2 332.492 2.894 10 30 EFEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481437461 1099810554 /nfs/dbraw/zinc/81/05/54/1099810554.db2.gz GIQTXMPPJZMNKU-KRWDZBQOSA-N 2 2 332.492 2.721 10 30 EFEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001481437461 1099810568 /nfs/dbraw/zinc/81/05/68/1099810568.db2.gz GIQTXMPPJZMNKU-KRWDZBQOSA-N 2 2 332.492 2.721 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482386163 1099963947 /nfs/dbraw/zinc/96/39/47/1099963947.db2.gz DZMCKVKLVCSZMP-SJORKVTESA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001270998293 1100347606 /nfs/dbraw/zinc/34/76/06/1100347606.db2.gz AXXJLURBESUEEK-LPHOPBHVSA-N 2 2 332.492 2.773 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001270998293 1100347612 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JXUQTSLAUQZZEV-YOEHRIQHSA-N 2 2 326.444 2.659 10 30 EFEELP C#Cc1ccc(NC(=O)CC[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001655123742 1101788210 /nfs/dbraw/zinc/78/82/10/1101788210.db2.gz SRPIOZDJRSBASE-UHFFFAOYSA-N 2 2 336.439 2.610 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001266380084 1101789798 /nfs/dbraw/zinc/78/97/98/1101789798.db2.gz PZQODMNPUKMKET-DLBZAZTESA-N 2 2 330.476 2.771 10 30 EFEELP C=CCCC[NH+]1CCC(N(CCC)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001266393544 1101832426 /nfs/dbraw/zinc/83/24/26/1101832426.db2.gz ZHPIDMNCJRZAEE-UHFFFAOYSA-N 2 2 332.492 2.930 10 30 EFEELP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001656894709 1102247682 /nfs/dbraw/zinc/24/76/82/1102247682.db2.gz QYZYKBOVVDGNEY-OALUTQOASA-N 2 2 344.503 2.854 10 30 EFEELP CCOc1ccccc1C[N@@H+](CC#CCOC)CCCn1cc[nH+]c1 ZINC001657661447 1102401909 /nfs/dbraw/zinc/40/19/09/1102401909.db2.gz ZRPDLAURUYMTNW-UHFFFAOYSA-N 2 2 341.455 2.824 10 30 EFEELP CCOc1ccccc1C[N@H+](CC#CCOC)CCCn1cc[nH+]c1 ZINC001657661447 1102401917 /nfs/dbraw/zinc/40/19/17/1102401917.db2.gz ZRPDLAURUYMTNW-UHFFFAOYSA-N 2 2 341.455 2.824 10 30 EFEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001271770552 1102640524 /nfs/dbraw/zinc/64/05/24/1102640524.db2.gz SLXISHVPEOCWDC-WKILWMFISA-N 2 2 338.455 2.712 10 30 EFEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001271789857 1102681255 /nfs/dbraw/zinc/68/12/55/1102681255.db2.gz AWBFHMQLTNZJSA-MRXNPFEDSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001271789857 1102681261 /nfs/dbraw/zinc/68/12/61/1102681261.db2.gz AWBFHMQLTNZJSA-MRXNPFEDSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001271789857 1102681271 /nfs/dbraw/zinc/68/12/71/1102681271.db2.gz AWBFHMQLTNZJSA-MRXNPFEDSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001271789857 1102681278 /nfs/dbraw/zinc/68/12/78/1102681278.db2.gz AWBFHMQLTNZJSA-MRXNPFEDSA-N 2 2 332.492 2.725 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001660447519 1102772537 /nfs/dbraw/zinc/77/25/37/1102772537.db2.gz QRCDKRBUXYCKNB-DLBZAZTESA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001660447521 1102773004 /nfs/dbraw/zinc/77/30/04/1102773004.db2.gz QRCDKRBUXYCKNB-IRXDYDNUSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001660822435 1102988281 /nfs/dbraw/zinc/98/82/81/1102988281.db2.gz JBBBYYRSJRMURO-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001660822435 1102988284 /nfs/dbraw/zinc/98/82/84/1102988284.db2.gz JBBBYYRSJRMURO-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483437092 1103710207 /nfs/dbraw/zinc/71/02/07/1103710207.db2.gz BLNPQAKPEIMCQW-HKUYNNGSSA-N 2 2 338.455 2.937 10 30 EFEELP CC#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001483616970 1104087610 /nfs/dbraw/zinc/08/76/10/1104087610.db2.gz HGJJKJKIBWJNFB-ZWKOTPCHSA-N 2 2 327.472 2.860 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001409618107 1104530772 /nfs/dbraw/zinc/53/07/72/1104530772.db2.gz YGSJKLZDJJKUHC-JQHSSLGASA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001409618107 1104530781 /nfs/dbraw/zinc/53/07/81/1104530781.db2.gz YGSJKLZDJJKUHC-JQHSSLGASA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001409618107 1104530787 /nfs/dbraw/zinc/53/07/87/1104530787.db2.gz YGSJKLZDJJKUHC-JQHSSLGASA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001409618107 1104530801 /nfs/dbraw/zinc/53/08/01/1104530801.db2.gz YGSJKLZDJJKUHC-JQHSSLGASA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001409618110 1104531593 /nfs/dbraw/zinc/53/15/93/1104531593.db2.gz YGSJKLZDJJKUHC-NXHRZFHOSA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001409618110 1104531601 /nfs/dbraw/zinc/53/16/01/1104531601.db2.gz YGSJKLZDJJKUHC-NXHRZFHOSA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001409618110 1104531609 /nfs/dbraw/zinc/53/16/09/1104531609.db2.gz YGSJKLZDJJKUHC-NXHRZFHOSA-N 2 2 349.906 2.521 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001409618110 1104531617 /nfs/dbraw/zinc/53/16/17/1104531617.db2.gz YGSJKLZDJJKUHC-NXHRZFHOSA-N 2 2 349.906 2.521 10 30 EFEELP C=CCC[N@H+]1CC[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001664750831 1104535831 /nfs/dbraw/zinc/53/58/31/1104535831.db2.gz SVORIWFSPFIFQV-KRWDZBQOSA-N 2 2 340.471 2.590 10 30 EFEELP C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001664750831 1104535837 /nfs/dbraw/zinc/53/58/37/1104535837.db2.gz SVORIWFSPFIFQV-KRWDZBQOSA-N 2 2 340.471 2.590 10 30 EFEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001664880295 1104589524 /nfs/dbraw/zinc/58/95/24/1104589524.db2.gz KQIYBIYRIGKNLV-UHFFFAOYSA-N 2 2 345.487 2.769 10 30 EFEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001664880295 1104589536 /nfs/dbraw/zinc/58/95/36/1104589536.db2.gz KQIYBIYRIGKNLV-UHFFFAOYSA-N 2 2 345.487 2.769 10 30 EFEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001665396148 1104684559 /nfs/dbraw/zinc/68/45/59/1104684559.db2.gz GBXNYTAJYVZHCZ-WDSOQIARSA-N 2 2 344.503 2.701 10 30 EFEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001665396148 1104684565 /nfs/dbraw/zinc/68/45/65/1104684565.db2.gz GBXNYTAJYVZHCZ-WDSOQIARSA-N 2 2 344.503 2.701 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482676025 1104852489 /nfs/dbraw/zinc/85/24/89/1104852489.db2.gz IPVHSPXQCJHKJT-SJORKVTESA-N 2 2 326.444 2.707 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001666152772 1104885086 /nfs/dbraw/zinc/88/50/86/1104885086.db2.gz SOQZTCIIYXEVJF-IRXDYDNUSA-N 2 2 332.492 2.773 10 30 EFEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001666152772 1104885091 /nfs/dbraw/zinc/88/50/91/1104885091.db2.gz SOQZTCIIYXEVJF-IRXDYDNUSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001666295327 1104919874 /nfs/dbraw/zinc/91/98/74/1104919874.db2.gz HJOHHFNXZOLJAC-XMTFNYHQSA-N 2 2 344.503 2.817 10 30 EFEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001666337509 1104928243 /nfs/dbraw/zinc/92/82/43/1104928243.db2.gz HVULMGOVZXREIS-UHFFFAOYSA-N 2 2 334.423 2.930 10 30 EFEELP C=C(C)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCCCC1 ZINC001667151899 1105063941 /nfs/dbraw/zinc/06/39/41/1105063941.db2.gz WPBGHFIDVCVDIR-GOSISDBHSA-N 2 2 332.492 2.584 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001667262282 1105101501 /nfs/dbraw/zinc/10/15/01/1105101501.db2.gz HILQPEBRMDNZOH-RBSFLKMASA-N 2 2 336.867 2.627 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001667262282 1105101503 /nfs/dbraw/zinc/10/15/03/1105101503.db2.gz HILQPEBRMDNZOH-RBSFLKMASA-N 2 2 336.867 2.627 10 30 EFEELP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001667332336 1105120027 /nfs/dbraw/zinc/12/00/27/1105120027.db2.gz LTTNZNYABKOXRL-AEFFLSMTSA-N 2 2 327.472 2.860 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001667379887 1105132520 /nfs/dbraw/zinc/13/25/20/1105132520.db2.gz DGALUALLLUESGQ-AEFFLSMTSA-N 2 2 345.487 2.816 10 30 EFEELP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001669962020 1105556932 /nfs/dbraw/zinc/55/69/32/1105556932.db2.gz QYHNMLGFAFWWHK-DLBZAZTESA-N 2 2 332.492 2.767 10 30 EFEELP C#CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CC2CC2)CC1 ZINC001671481586 1105643008 /nfs/dbraw/zinc/64/30/08/1105643008.db2.gz PEQUSQDZBZXQMM-UHFFFAOYSA-N 2 2 336.439 2.513 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001671535833 1105653912 /nfs/dbraw/zinc/65/39/12/1105653912.db2.gz GSGAKCQKWALMJW-ROUUACIJSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001671642728 1105675877 /nfs/dbraw/zinc/67/58/77/1105675877.db2.gz AHEDHRCVLYJCSA-OXJNMPFZSA-N 2 2 344.503 2.697 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001671642728 1105675880 /nfs/dbraw/zinc/67/58/80/1105675880.db2.gz AHEDHRCVLYJCSA-OXJNMPFZSA-N 2 2 344.503 2.697 10 30 EFEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001671748732 1105695929 /nfs/dbraw/zinc/69/59/29/1105695929.db2.gz XIFRJWCTNWOYRB-MJGOQNOKSA-N 2 2 332.492 2.875 10 30 EFEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001671796475 1105704315 /nfs/dbraw/zinc/70/43/15/1105704315.db2.gz XCOMRQZZUSTIKM-HXUWFJFHSA-N 2 2 340.471 2.590 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001671896623 1105724354 /nfs/dbraw/zinc/72/43/54/1105724354.db2.gz AOSGYHGGNQRLGN-HKUYNNGSSA-N 2 2 332.492 2.846 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001671896623 1105724358 /nfs/dbraw/zinc/72/43/58/1105724358.db2.gz AOSGYHGGNQRLGN-HKUYNNGSSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001672214838 1105776298 /nfs/dbraw/zinc/77/62/98/1105776298.db2.gz AZUYJAZKCIIXLY-CVEARBPZSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001672294626 1105794531 /nfs/dbraw/zinc/79/45/31/1105794531.db2.gz UTXBCADNTIPQFC-HOTGVXAUSA-N 2 2 326.444 2.598 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C 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C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483803880 1112472346 /nfs/dbraw/zinc/47/23/46/1112472346.db2.gz BIIHCDFFQFMKHP-OOKSDGMUSA-N 2 2 342.487 2.523 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001483810766 1112477915 /nfs/dbraw/zinc/47/79/15/1112477915.db2.gz MGDVMDDBKNEFHJ-IKGGRYGDSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001483810766 1112477917 /nfs/dbraw/zinc/47/79/17/1112477917.db2.gz MGDVMDDBKNEFHJ-IKGGRYGDSA-N 2 2 341.927 2.925 10 30 EFEELP C=CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC001483993176 1112642033 /nfs/dbraw/zinc/64/20/33/1112642033.db2.gz VDHIODFGPRIICS-SFHVURJKSA-N 2 2 334.423 2.739 10 30 EFEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484144046 1112820742 /nfs/dbraw/zinc/82/07/42/1112820742.db2.gz WWOSNFDSYBPZDI-INIZCTEOSA-N 2 2 332.492 2.773 10 30 EFEELP 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ZINC001484569376 1113028267 /nfs/dbraw/zinc/02/82/67/1113028267.db2.gz CCNABSWQHQUCDL-KZNAEPCWSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001484579001 1113032433 /nfs/dbraw/zinc/03/24/33/1113032433.db2.gz RDGUMMPNDMUDKE-GOSISDBHSA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001484747832 1113131875 /nfs/dbraw/zinc/13/18/75/1113131875.db2.gz NUPGAENXXGYGCK-SJORKVTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001484747832 1113131877 /nfs/dbraw/zinc/13/18/77/1113131877.db2.gz NUPGAENXXGYGCK-SJORKVTESA-N 2 2 332.492 2.581 10 30 EFEELP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001484830517 1117749313 /nfs/dbraw/zinc/74/93/13/1117749313.db2.gz OPRUNBPXTWXULZ-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001484830517 1117749316 /nfs/dbraw/zinc/74/93/16/1117749316.db2.gz OPRUNBPXTWXULZ-IBGZPJMESA-N 2 2 330.476 2.554 10 30 EFEELP C=CC[N@H+]1Cc2ccc(CNC(=O)CCCn3cc[nH+]c3C)cc2C1 ZINC001484875576 1117790588 /nfs/dbraw/zinc/79/05/88/1117790588.db2.gz KBMLGFMGPGDMMR-UHFFFAOYSA-N 2 2 338.455 2.790 10 30 EFEELP C=CC[N@@H+]1Cc2ccc(CNC(=O)CCCn3cc[nH+]c3C)cc2C1 ZINC001484875576 1117790592 /nfs/dbraw/zinc/79/05/92/1117790592.db2.gz KBMLGFMGPGDMMR-UHFFFAOYSA-N 2 2 338.455 2.790 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001484942873 1117868899 /nfs/dbraw/zinc/86/88/99/1117868899.db2.gz SGTXDUYZRPFPDK-SFHVURJKSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001484942873 1117868905 /nfs/dbraw/zinc/86/89/05/1117868905.db2.gz SGTXDUYZRPFPDK-SFHVURJKSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001485033409 1117966424 /nfs/dbraw/zinc/96/64/24/1117966424.db2.gz GRVYHSJVHHPLFG-INIZCTEOSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001485033409 1117966426 /nfs/dbraw/zinc/96/64/26/1117966426.db2.gz GRVYHSJVHHPLFG-INIZCTEOSA-N 2 2 332.492 2.867 10 30 EFEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485253840 1118169687 /nfs/dbraw/zinc/16/96/87/1118169687.db2.gz ITZSYSUSRLGBDN-KRWDZBQOSA-N 2 2 332.492 2.568 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847405 1118639725 /nfs/dbraw/zinc/63/97/25/1118639725.db2.gz WSZKMDVFFOMSMR-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847405 1118639727 /nfs/dbraw/zinc/63/97/27/1118639727.db2.gz WSZKMDVFFOMSMR-AEFFLSMTSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042110 1118663545 /nfs/dbraw/zinc/66/35/45/1118663545.db2.gz WPSHNEPMZFFHOM-JFIYKMOQSA-N 2 2 344.503 2.707 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042110 1118663547 /nfs/dbraw/zinc/66/35/47/1118663547.db2.gz WPSHNEPMZFFHOM-JFIYKMOQSA-N 2 2 344.503 2.707 10 30 EFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515910 240229431 /nfs/dbraw/zinc/22/94/31/240229431.db2.gz IYOMAFBCHHQMNH-IAGOWNOFSA-N 2 2 330.476 2.629 10 30 EFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515910 240229438 /nfs/dbraw/zinc/22/94/38/240229438.db2.gz IYOMAFBCHHQMNH-IAGOWNOFSA-N 2 2 330.476 2.629 10 30 EFEELP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@](C)(CC)C1 ZINC000261740530 240321189 /nfs/dbraw/zinc/32/11/89/240321189.db2.gz KQEYOXUYGNNCHN-LJQANCHMSA-N 2 2 340.475 2.855 10 30 EFEELP [NH2+]=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000261977943 240336497 /nfs/dbraw/zinc/33/64/97/240336497.db2.gz OEOLUVHMZNLIKI-KRWDZBQOSA-N 2 2 340.496 2.914 10 30 EFEELP [NH2+]=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000261977943 240336502 /nfs/dbraw/zinc/33/65/02/240336502.db2.gz OEOLUVHMZNLIKI-KRWDZBQOSA-N 2 2 340.496 2.914 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462421 217228229 /nfs/dbraw/zinc/22/82/29/217228229.db2.gz UEAYLVMWUDOZOI-WBMJQRKESA-N 2 2 348.516 2.837 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462421 217228233 /nfs/dbraw/zinc/22/82/33/217228233.db2.gz UEAYLVMWUDOZOI-WBMJQRKESA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462421 217228235 /nfs/dbraw/zinc/22/82/35/217228235.db2.gz UEAYLVMWUDOZOI-WBMJQRKESA-N 2 2 348.516 2.837 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000079462421 217228238 /nfs/dbraw/zinc/22/82/38/217228238.db2.gz UEAYLVMWUDOZOI-WBMJQRKESA-N 2 2 348.516 2.837 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095415 217361860 /nfs/dbraw/zinc/36/18/60/217361860.db2.gz AXFDAOOQLVZLMX-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095415 217361864 /nfs/dbraw/zinc/36/18/64/217361864.db2.gz AXFDAOOQLVZLMX-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095415 217361867 /nfs/dbraw/zinc/36/18/67/217361867.db2.gz AXFDAOOQLVZLMX-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081095415 217361870 /nfs/dbraw/zinc/36/18/70/217361870.db2.gz AXFDAOOQLVZLMX-DYVFJYSZSA-N 2 2 348.878 2.812 10 30 EFEELP C=CCNC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441379343 250025926 /nfs/dbraw/zinc/02/59/26/250025926.db2.gz PAHSADBRCSWVPS-SJLPKXTDSA-N 2 2 326.444 2.522 10 30 EFEELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000181934871 533052371 /nfs/dbraw/zinc/05/23/71/533052371.db2.gz RACIWNATBZPIPY-PBHICJAKSA-N 2 2 336.443 2.710 10 30 EFEELP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccccc1 ZINC000348903133 146022149 /nfs/dbraw/zinc/02/21/49/146022149.db2.gz GDBWHPYCJBUDPH-UHFFFAOYSA-N 2 2 333.439 2.770 10 30 EFEELP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205872 151300732 /nfs/dbraw/zinc/30/07/32/151300732.db2.gz BHDXNKYTGQELPV-UHFFFAOYSA-N 2 2 343.818 2.753 10 30 EFEELP C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182617390 287131508 /nfs/dbraw/zinc/13/15/08/287131508.db2.gz JWNFTMYFGYJUIT-XVSDAANHSA-N 2 2 338.499 2.862 10 30 EFEELP C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182617390 287131509 /nfs/dbraw/zinc/13/15/09/287131509.db2.gz JWNFTMYFGYJUIT-XVSDAANHSA-N 2 2 338.499 2.862 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453263228 270028969 /nfs/dbraw/zinc/02/89/69/270028969.db2.gz LIIQKWIOMSJCDJ-AZUAARDMSA-N 2 2 327.472 2.762 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453263228 270028973 /nfs/dbraw/zinc/02/89/73/270028973.db2.gz LIIQKWIOMSJCDJ-AZUAARDMSA-N 2 2 327.472 2.762 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453263231 270029016 /nfs/dbraw/zinc/02/90/16/270029016.db2.gz LIIQKWIOMSJCDJ-UYAOXDASSA-N 2 2 327.472 2.762 10 30 EFEELP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453263231 270029017 /nfs/dbraw/zinc/02/90/17/270029017.db2.gz LIIQKWIOMSJCDJ-UYAOXDASSA-N 2 2 327.472 2.762 10 30 EFEELP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285551475 267010753 /nfs/dbraw/zinc/01/07/53/267010753.db2.gz GPJWNYYROFZXQK-QGZVFWFLSA-N 2 2 326.488 2.991 10 30 EFEELP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285551475 267010754 /nfs/dbraw/zinc/01/07/54/267010754.db2.gz GPJWNYYROFZXQK-QGZVFWFLSA-N 2 2 326.488 2.991 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292251349 267136717 /nfs/dbraw/zinc/13/67/17/267136717.db2.gz XSADPSJLMOCXKK-ACJLOTCBSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292251349 267136722 /nfs/dbraw/zinc/13/67/22/267136722.db2.gz XSADPSJLMOCXKK-ACJLOTCBSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292251349 267136727 /nfs/dbraw/zinc/13/67/27/267136727.db2.gz XSADPSJLMOCXKK-ACJLOTCBSA-N 2 2 346.862 2.566 10 30 EFEELP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292251349 267136729 /nfs/dbraw/zinc/13/67/29/267136729.db2.gz XSADPSJLMOCXKK-ACJLOTCBSA-N 2 2 346.862 2.566 10 30 EFEELP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(OC(C)(C)C)CC1 ZINC000261744527 275734017 /nfs/dbraw/zinc/73/40/17/275734017.db2.gz LBRKILAHTGGCDH-UHFFFAOYSA-N 2 2 347.507 2.574 10 30 EFEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000160082491 277046954 /nfs/dbraw/zinc/04/69/54/277046954.db2.gz LJGDUTJLOONWQR-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000160082491 277046955 /nfs/dbraw/zinc/04/69/55/277046955.db2.gz LJGDUTJLOONWQR-FQEVSTJZSA-N 2 2 345.918 2.793 10 30 EFEELP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000578196299 320182754 /nfs/dbraw/zinc/18/27/54/320182754.db2.gz CHUHEGRAFOUPTB-QGZVFWFLSA-N 2 2 328.416 2.917 10 30 EFEELP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000578196299 320182756 /nfs/dbraw/zinc/18/27/56/320182756.db2.gz CHUHEGRAFOUPTB-QGZVFWFLSA-N 2 2 328.416 2.917 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000105896581 472802250 /nfs/dbraw/zinc/80/22/50/472802250.db2.gz RSITVYRKCYLOFR-KRWDZBQOSA-N 2 2 337.427 2.593 10 30 EFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000105896581 472802254 /nfs/dbraw/zinc/80/22/54/472802254.db2.gz RSITVYRKCYLOFR-KRWDZBQOSA-N 2 2 337.427 2.593 10 30 EFEELP N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2c1 ZINC000092066456 472851743 /nfs/dbraw/zinc/85/17/43/472851743.db2.gz TXYGOAIDJZJEOT-VQIMIIECSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2c1 ZINC000092066456 472851746 /nfs/dbraw/zinc/85/17/46/472851746.db2.gz TXYGOAIDJZJEOT-VQIMIIECSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000092066456 472851750 /nfs/dbraw/zinc/85/17/50/472851750.db2.gz TXYGOAIDJZJEOT-VQIMIIECSA-N 2 2 335.455 2.655 10 30 EFEELP N#Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000092066456 472851754 /nfs/dbraw/zinc/85/17/54/472851754.db2.gz TXYGOAIDJZJEOT-VQIMIIECSA-N 2 2 335.455 2.655 10 30 EFEELP C#CCCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079516 472856894 /nfs/dbraw/zinc/85/68/94/472856894.db2.gz KEYNJUHULFBCKQ-SFHVURJKSA-N 2 2 342.483 2.774 10 30 EFEELP C#CCCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079516 472856901 /nfs/dbraw/zinc/85/69/01/472856901.db2.gz KEYNJUHULFBCKQ-SFHVURJKSA-N 2 2 342.483 2.774 10 30 EFEELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCC#N)CCOC)CC1 ZINC000093100055 473042143 /nfs/dbraw/zinc/04/21/43/473042143.db2.gz ZTIMWVOBWWQRGH-UHFFFAOYSA-N 2 2 344.503 2.581 10 30 EFEELP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCC#N)CCOC)CC1 ZINC000093100055 473042148 /nfs/dbraw/zinc/04/21/48/473042148.db2.gz ZTIMWVOBWWQRGH-UHFFFAOYSA-N 2 2 344.503 2.581 10 30 EFEELP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282477548 474080622 /nfs/dbraw/zinc/08/06/22/474080622.db2.gz PWMPAGIOSSLADM-HXUWFJFHSA-N 2 2 349.482 2.923 10 30 EFEELP C[N@H+](Cc1cc(C#N)cs1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190316693 474577681 /nfs/dbraw/zinc/57/76/81/474577681.db2.gz BLQQLRHAAWYONR-LJQANCHMSA-N 2 2 341.480 2.689 10 30 EFEELP C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190316693 474577687 /nfs/dbraw/zinc/57/76/87/474577687.db2.gz BLQQLRHAAWYONR-LJQANCHMSA-N 2 2 341.480 2.689 10 30 EFEELP C[NH+](Cc1cc(C#N)cs1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190316693 474577690 /nfs/dbraw/zinc/57/76/90/474577690.db2.gz BLQQLRHAAWYONR-LJQANCHMSA-N 2 2 341.480 2.689 10 30 EFEELP C[NH+](Cc1cc(C#N)cs1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190316693 474577694 /nfs/dbraw/zinc/57/76/94/474577694.db2.gz BLQQLRHAAWYONR-LJQANCHMSA-N 2 2 341.480 2.689 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000284275893 474607970 /nfs/dbraw/zinc/60/79/70/474607970.db2.gz NCNHXHGYRDEIRY-TZIWHRDSSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000284275893 474607975 /nfs/dbraw/zinc/60/79/75/474607975.db2.gz NCNHXHGYRDEIRY-TZIWHRDSSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000284275890 474608116 /nfs/dbraw/zinc/60/81/16/474608116.db2.gz NCNHXHGYRDEIRY-PZJWPPBQSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000284275890 474608120 /nfs/dbraw/zinc/60/81/20/474608120.db2.gz NCNHXHGYRDEIRY-PZJWPPBQSA-N 2 2 348.450 2.922 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccc(C#N)c2)CCC[NH+]1C ZINC000284750744 474750508 /nfs/dbraw/zinc/75/05/08/474750508.db2.gz FHGGLYCLXFPZBV-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)CCC[NH+]1C ZINC000284750744 474750512 /nfs/dbraw/zinc/75/05/12/474750512.db2.gz FHGGLYCLXFPZBV-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc(C#N)c2)CCC[N@@H+]1C ZINC000284750744 474750518 /nfs/dbraw/zinc/75/05/18/474750518.db2.gz FHGGLYCLXFPZBV-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc(C#N)c2)CCC[N@H+]1C ZINC000284750744 474750522 /nfs/dbraw/zinc/75/05/22/474750522.db2.gz FHGGLYCLXFPZBV-AZUAARDMSA-N 2 2 337.471 2.807 10 30 EFEELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000330291826 475224507 /nfs/dbraw/zinc/22/45/07/475224507.db2.gz GSYGCIRJHTUMFD-HOTGVXAUSA-N 2 2 333.480 2.828 10 30 EFEELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000330291826 475224509 /nfs/dbraw/zinc/22/45/09/475224509.db2.gz GSYGCIRJHTUMFD-HOTGVXAUSA-N 2 2 333.480 2.828 10 30 EFEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358582485 475785900 /nfs/dbraw/zinc/78/59/00/475785900.db2.gz ZZLRQWIMYSXSMB-AGRHKRQWSA-N 2 2 331.435 2.726 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000353338972 475884295 /nfs/dbraw/zinc/88/42/95/475884295.db2.gz XFZQISKLMIREIR-UHFFFAOYSA-N 2 2 339.439 2.977 10 30 EFEELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000298478735 476107186 /nfs/dbraw/zinc/10/71/86/476107186.db2.gz IZTAJFJOKDYMEI-PZJWPPBQSA-N 2 2 348.450 2.922 10 30 EFEELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000298478735 476107196 /nfs/dbraw/zinc/10/71/96/476107196.db2.gz IZTAJFJOKDYMEI-PZJWPPBQSA-N 2 2 348.450 2.922 10 30 EFEELP C#CCCOc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000369293140 476405712 /nfs/dbraw/zinc/40/57/12/476405712.db2.gz KTWVYROYJRZYRV-UHFFFAOYSA-N 2 2 332.407 2.959 10 30 EFEELP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000375535373 476885639 /nfs/dbraw/zinc/88/56/39/476885639.db2.gz UTWITAGXDUJTJR-UHFFFAOYSA-N 2 2 332.407 2.815 10 30 EFEELP COc1ccc2c(c1)CC[N@H+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000375535373 476885650 /nfs/dbraw/zinc/88/56/50/476885650.db2.gz UTWITAGXDUJTJR-UHFFFAOYSA-N 2 2 332.407 2.815 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380108 477735740 /nfs/dbraw/zinc/73/57/40/477735740.db2.gz REMXJYIUGWIXHY-APWZRJJASA-N 2 2 347.528 2.727 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380108 477735746 /nfs/dbraw/zinc/73/57/46/477735746.db2.gz REMXJYIUGWIXHY-APWZRJJASA-N 2 2 347.528 2.727 10 30 EFEELP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000421335674 478040235 /nfs/dbraw/zinc/04/02/35/478040235.db2.gz TUUUUSAQHFBBPG-UHFFFAOYSA-N 2 2 339.414 2.819 10 30 EFEELP C=CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490896053 478400802 /nfs/dbraw/zinc/40/08/02/478400802.db2.gz YDIWTBMBMYVOJG-UHFFFAOYSA-N 2 2 338.455 2.892 10 30 EFEELP C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987780 478419730 /nfs/dbraw/zinc/41/97/30/478419730.db2.gz MWCIYUMXICAVLM-XLIONFOSSA-N 2 2 345.918 2.649 10 30 EFEELP C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987778 478419968 /nfs/dbraw/zinc/41/99/68/478419968.db2.gz MWCIYUMXICAVLM-FXAWDEMLSA-N 2 2 345.918 2.649 10 30 EFEELP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[NH+]2CCCC2)cc1 ZINC000600721997 478485537 /nfs/dbraw/zinc/48/55/37/478485537.db2.gz PIJIANUUYBALIU-OALUTQOASA-N 2 2 327.472 2.776 10 30 EFEELP C[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600735797 478497417 /nfs/dbraw/zinc/49/74/17/478497417.db2.gz VQHXJENPQVTWAI-MOPGFXCFSA-N 2 2 327.472 2.685 10 30 EFEELP C[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000600735797 478497424 /nfs/dbraw/zinc/49/74/24/478497424.db2.gz VQHXJENPQVTWAI-MOPGFXCFSA-N 2 2 327.472 2.685 10 30 EFEELP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917935 478583368 /nfs/dbraw/zinc/58/33/68/478583368.db2.gz MDONWRWTZYVWTE-IBGZPJMESA-N 2 2 327.472 2.688 10 30 EFEELP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917935 478583377 /nfs/dbraw/zinc/58/33/77/478583377.db2.gz MDONWRWTZYVWTE-IBGZPJMESA-N 2 2 327.472 2.688 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000594971612 478613294 /nfs/dbraw/zinc/61/32/94/478613294.db2.gz MYSWWWZTLBNZOO-KRWDZBQOSA-N 2 2 335.398 2.536 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(O)(C3CC3)C3CC3)CC2)cc1 ZINC000594983869 478617834 /nfs/dbraw/zinc/61/78/34/478617834.db2.gz QAIWOHSOAPJJJE-UHFFFAOYSA-N 2 2 339.483 2.663 10 30 EFEELP CC1(C)OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594996930 478622934 /nfs/dbraw/zinc/62/29/34/478622934.db2.gz VSINPGBDUPEBHW-SFHVURJKSA-N 2 2 327.472 2.927 10 30 EFEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595393069 478761409 /nfs/dbraw/zinc/76/14/09/478761409.db2.gz VAFSZXPAVBCFJX-GOSISDBHSA-N 2 2 334.895 2.862 10 30 EFEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595393069 478761414 /nfs/dbraw/zinc/76/14/14/478761414.db2.gz VAFSZXPAVBCFJX-GOSISDBHSA-N 2 2 334.895 2.862 10 30 EFEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595865675 479040211 /nfs/dbraw/zinc/04/02/11/479040211.db2.gz ISQKHTFPLBSONZ-GOSISDBHSA-N 2 2 327.472 2.519 10 30 EFEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595865675 479040215 /nfs/dbraw/zinc/04/02/15/479040215.db2.gz ISQKHTFPLBSONZ-GOSISDBHSA-N 2 2 327.472 2.519 10 30 EFEELP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979827 479112709 /nfs/dbraw/zinc/11/27/09/479112709.db2.gz DCUIGOVAZUJKJJ-HXUWFJFHSA-N 3 2 340.515 2.985 10 30 EFEELP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979827 479112710 /nfs/dbraw/zinc/11/27/10/479112710.db2.gz DCUIGOVAZUJKJJ-HXUWFJFHSA-N 3 2 340.515 2.985 10 30 EFEELP Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C#N ZINC000599276581 479231098 /nfs/dbraw/zinc/23/10/98/479231098.db2.gz AYQUGIDSQCUOAF-KDURUIRLSA-N 2 2 340.515 2.857 10 30 EFEELP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C#N ZINC000599276581 479231105 /nfs/dbraw/zinc/23/11/05/479231105.db2.gz AYQUGIDSQCUOAF-KDURUIRLSA-N 2 2 340.515 2.857 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000529664622 479238232 /nfs/dbraw/zinc/23/82/32/479238232.db2.gz SXXCKHWCFZEERZ-UHFFFAOYSA-N 2 2 330.472 2.938 10 30 EFEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000596651802 479372359 /nfs/dbraw/zinc/37/23/59/479372359.db2.gz NXLJERLYOXXBHL-KBEGMRNHSA-N 2 2 331.435 2.952 10 30 EFEELP CCC1([NH+]2CCOCC2)CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000599670446 479382885 /nfs/dbraw/zinc/38/28/85/479382885.db2.gz WAAVWZSHHZUDSG-UHFFFAOYSA-N 2 2 343.471 2.514 10 30 EFEELP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515586 479403256 /nfs/dbraw/zinc/40/32/56/479403256.db2.gz FTEANOOSRADYFH-RBUKOAKNSA-N 2 2 349.438 2.587 10 30 EFEELP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000611515586 479403260 /nfs/dbraw/zinc/40/32/60/479403260.db2.gz FTEANOOSRADYFH-RBUKOAKNSA-N 2 2 349.438 2.587 10 30 EFEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662088069 481542635 /nfs/dbraw/zinc/54/26/35/481542635.db2.gz VBVQHEQZCNGARI-HDICACEKSA-N 2 2 345.512 2.575 10 30 EFEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662088069 481542642 /nfs/dbraw/zinc/54/26/42/481542642.db2.gz VBVQHEQZCNGARI-HDICACEKSA-N 2 2 345.512 2.575 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412843 521713484 /nfs/dbraw/zinc/71/34/84/521713484.db2.gz AXFDAOOQLVZLMX-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412843 521713486 /nfs/dbraw/zinc/71/34/86/521713486.db2.gz AXFDAOOQLVZLMX-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412843 521713488 /nfs/dbraw/zinc/71/34/88/521713488.db2.gz AXFDAOOQLVZLMX-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245412843 521713489 /nfs/dbraw/zinc/71/34/89/521713489.db2.gz AXFDAOOQLVZLMX-SUMWQHHRSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443805 521719953 /nfs/dbraw/zinc/71/99/53/521719953.db2.gz XKSLFNKUKBHYRR-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443805 521719955 /nfs/dbraw/zinc/71/99/55/521719955.db2.gz XKSLFNKUKBHYRR-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443805 521719956 /nfs/dbraw/zinc/71/99/56/521719956.db2.gz XKSLFNKUKBHYRR-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](C)C1 ZINC000245443805 521719958 /nfs/dbraw/zinc/71/99/58/521719958.db2.gz XKSLFNKUKBHYRR-GUYCJALGSA-N 2 2 348.878 2.812 10 30 EFEELP COc1cc(C#N)ccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000077282142 522042715 /nfs/dbraw/zinc/04/27/15/522042715.db2.gz MYNMAOUBVCIJJP-UHFFFAOYSA-N 2 2 329.444 2.506 10 30 EFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000178318666 534780573 /nfs/dbraw/zinc/78/05/73/534780573.db2.gz LUYUWVSBUBHVQT-KRWDZBQOSA-N 2 2 348.410 2.778 10 30 EFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000178318666 534780585 /nfs/dbraw/zinc/78/05/85/534780585.db2.gz LUYUWVSBUBHVQT-KRWDZBQOSA-N 2 2 348.410 2.778 10 30 EFEELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328720473 535078602 /nfs/dbraw/zinc/07/86/02/535078602.db2.gz QQACAXSLRUTWIS-JKSUJKDBSA-N 2 2 333.480 2.624 10 30 EFEELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328720473 535078604 /nfs/dbraw/zinc/07/86/04/535078604.db2.gz QQACAXSLRUTWIS-JKSUJKDBSA-N 2 2 333.480 2.624 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001691274925 1248585470 /nfs/dbraw/zinc/58/54/70/1248585470.db2.gz HUSRGIWFTOHORX-SFHVURJKSA-N 2 2 344.503 2.942 10 30 EFEELP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001691302744 1248631159 /nfs/dbraw/zinc/63/11/59/1248631159.db2.gz ZPBFENYOUGXZBO-ROUUACIJSA-N 2 2 332.492 2.846 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001691302215 1248631972 /nfs/dbraw/zinc/63/19/72/1248631972.db2.gz UKVVISCQARFWJR-GOEBONIOSA-N 2 2 338.883 2.633 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691629807 1251878340 /nfs/dbraw/zinc/87/83/40/1251878340.db2.gz WTIWGAOBMZXTSH-KZNAEPCWSA-N 2 2 344.503 2.851 10 30 EFEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001484337294 1252422009 /nfs/dbraw/zinc/42/20/09/1252422009.db2.gz VNFPGAOJEAHZOJ-RDJZCZTQSA-N 2 2 326.444 2.659 10 30 EFEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484337486 1252422144 /nfs/dbraw/zinc/42/21/44/1252422144.db2.gz WUCRWOUDIUEOSY-IRXDYDNUSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484337487 1252422392 /nfs/dbraw/zinc/42/23/92/1252422392.db2.gz WUCRWOUDIUEOSY-SJORKVTESA-N 2 2 344.503 2.555 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001484462635 1252659649 /nfs/dbraw/zinc/65/96/49/1252659649.db2.gz GKSZKEOJMCOKBV-GVDBMIGSSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001484462635 1252659660 /nfs/dbraw/zinc/65/96/60/1252659660.db2.gz GKSZKEOJMCOKBV-GVDBMIGSSA-N 2 2 341.927 2.925 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464961 1252668660 /nfs/dbraw/zinc/66/86/60/1252668660.db2.gz LRCMURGMTNOBDH-OALUTQOASA-N 2 2 344.503 2.774 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001484464961 1252668668 /nfs/dbraw/zinc/66/86/68/1252668668.db2.gz LRCMURGMTNOBDH-OALUTQOASA-N 2 2 344.503 2.774 10 30 EFEELP N#Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000921550390 1257247460 /nfs/dbraw/zinc/24/74/60/1257247460.db2.gz JLFUTBXQJMYHFR-UHFFFAOYSA-N 2 2 327.453 2.742 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001486403228 1263052444 /nfs/dbraw/zinc/05/24/44/1263052444.db2.gz NDKQLCUVYAMUPL-DOTOQJQBSA-N 2 2 332.492 2.532 10 30 EFEELP C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001486405547 1263058045 /nfs/dbraw/zinc/05/80/45/1263058045.db2.gz YVGRMXNDPCNBKK-KRWDZBQOSA-N 2 2 333.476 2.719 10 30 EFEELP CC#CC[NH2+]C1(CNC(=O)CCC)CC[NH+](Cc2ccccc2)CC1 ZINC001486452435 1263163304 /nfs/dbraw/zinc/16/33/04/1263163304.db2.gz ZHMYPWVKJCBUDD-UHFFFAOYSA-N 2 2 341.499 2.550 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511891 1263288669 /nfs/dbraw/zinc/28/86/69/1263288669.db2.gz PUPDIJDMFQCSGJ-SJLPKXTDSA-N 2 2 342.487 2.549 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511891 1263288673 /nfs/dbraw/zinc/28/86/73/1263288673.db2.gz PUPDIJDMFQCSGJ-SJLPKXTDSA-N 2 2 342.487 2.549 10 30 EFEELP COc1cccc(O)c1/C=N/CC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741845867 1269729781 /nfs/dbraw/zinc/72/97/81/1269729781.db2.gz YHUKVYZMZXWDKB-RCCKNPSSSA-N 2 2 345.487 2.770 10 30 EFEELP C=CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000745877496 1271667213 /nfs/dbraw/zinc/66/72/13/1271667213.db2.gz BMIMOWUYMLHYBN-UHFFFAOYSA-N 2 2 336.524 2.543 10 30 EFEELP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000871783082 1287286811 /nfs/dbraw/zinc/28/68/11/1287286811.db2.gz JNSKPTGRXAPCLY-OAHLLOKOSA-N 2 2 348.834 2.711 10 30 EFEELP C#C[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000824195315 1289566442 /nfs/dbraw/zinc/56/64/42/1289566442.db2.gz AUIVLDQQWXMIKW-QMMLZNLJSA-N 2 2 326.484 2.852 10 30 EFEELP C#CCC[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001691742212 1290774068 /nfs/dbraw/zinc/77/40/68/1290774068.db2.gz OGYCLTURDMEUDS-UHFFFAOYSA-N 2 2 338.455 2.726 10 30 EFEELP C#CCC[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001691742212 1290774072 /nfs/dbraw/zinc/77/40/72/1290774072.db2.gz OGYCLTURDMEUDS-UHFFFAOYSA-N 2 2 338.455 2.726 10 30 EFEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001277740904 1312819154 /nfs/dbraw/zinc/81/91/54/1312819154.db2.gz UCULVZNCAGPKAG-WMLDXEAASA-N 2 2 326.444 2.802 10 30 EFEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001277740905 1312819647 /nfs/dbraw/zinc/81/96/47/1312819647.db2.gz UCULVZNCAGPKAG-YOEHRIQHSA-N 2 2 326.444 2.802 10 30 EFEELP C=CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000883224570 1293513801 /nfs/dbraw/zinc/51/38/01/1293513801.db2.gz OPTKEZAOQXKVCR-NJYVYQBISA-N 2 2 344.499 2.509 10 30 EFEELP C=CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000883224570 1293513803 /nfs/dbraw/zinc/51/38/03/1293513803.db2.gz OPTKEZAOQXKVCR-NJYVYQBISA-N 2 2 344.499 2.509 10 30 EFEELP C#CC[N@@H+](CCCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425917 1294959524 /nfs/dbraw/zinc/95/95/24/1294959524.db2.gz ACYLBAKXIYWSAU-UHFFFAOYSA-N 2 2 346.475 2.608 10 30 EFEELP C#CC[N@H+](CCCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425917 1294959529 /nfs/dbraw/zinc/95/95/29/1294959529.db2.gz ACYLBAKXIYWSAU-UHFFFAOYSA-N 2 2 346.475 2.608 10 30 EFEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001275048208 1296223929 /nfs/dbraw/zinc/22/39/29/1296223929.db2.gz CGMGAHRQNUCORU-AEFFLSMTSA-N 2 2 332.492 2.678 10 30 EFEELP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000925095266 1296797089 /nfs/dbraw/zinc/79/70/89/1296797089.db2.gz STPQFMURHAFZJP-KXBFYZLASA-N 2 2 343.471 2.805 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001489042913 1297954074 /nfs/dbraw/zinc/95/40/74/1297954074.db2.gz OUOBWPOJRMDQIW-CVEARBPZSA-N 2 2 326.444 2.741 10 30 EFEELP C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001206408557 1313449618 /nfs/dbraw/zinc/44/96/18/1313449618.db2.gz CBZRTBGZHGHBKC-LJQANCHMSA-N 2 2 342.483 2.633 10 30 EFEELP C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001206408557 1313449622 /nfs/dbraw/zinc/44/96/22/1313449622.db2.gz CBZRTBGZHGHBKC-LJQANCHMSA-N 2 2 342.483 2.633 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001489084935 1298016196 /nfs/dbraw/zinc/01/61/96/1298016196.db2.gz JQJMMIKCDKHWPM-BHIYHBOVSA-N 2 2 344.503 2.845 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001489084935 1298016203 /nfs/dbraw/zinc/01/62/03/1298016203.db2.gz JQJMMIKCDKHWPM-BHIYHBOVSA-N 2 2 344.503 2.845 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001489085376 1298017930 /nfs/dbraw/zinc/01/79/30/1298017930.db2.gz KKFBFWWBKGYNCJ-NXHRZFHOSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001489085376 1298017937 /nfs/dbraw/zinc/01/79/37/1298017937.db2.gz KKFBFWWBKGYNCJ-NXHRZFHOSA-N 2 2 330.476 2.524 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489199245 1298111927 /nfs/dbraw/zinc/11/19/27/1298111927.db2.gz KUWOIUFACOYKEB-MOPGFXCFSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489199245 1298111942 /nfs/dbraw/zinc/11/19/42/1298111942.db2.gz KUWOIUFACOYKEB-MOPGFXCFSA-N 2 2 344.503 2.800 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440114 1298863881 /nfs/dbraw/zinc/86/38/81/1298863881.db2.gz KTKQEUKMWYZHHX-SJORKVTESA-N 2 2 332.492 2.862 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490440114 1298863889 /nfs/dbraw/zinc/86/38/89/1298863889.db2.gz KTKQEUKMWYZHHX-SJORKVTESA-N 2 2 332.492 2.862 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001490543851 1298953654 /nfs/dbraw/zinc/95/36/54/1298953654.db2.gz JXANFJPNNBWRRS-KRWDZBQOSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001490543851 1298953667 /nfs/dbraw/zinc/95/36/67/1298953667.db2.gz JXANFJPNNBWRRS-KRWDZBQOSA-N 2 2 344.503 2.699 10 30 EFEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001490664970 1299108687 /nfs/dbraw/zinc/10/86/87/1299108687.db2.gz NOFQHQCXVBGTCE-QGZVFWFLSA-N 2 2 326.444 2.707 10 30 EFEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490766123 1299213761 /nfs/dbraw/zinc/21/37/61/1299213761.db2.gz KKGHIKZEFAQLGL-QGZVFWFLSA-N 2 2 332.492 2.673 10 30 EFEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001490766123 1299213774 /nfs/dbraw/zinc/21/37/74/1299213774.db2.gz KKGHIKZEFAQLGL-QGZVFWFLSA-N 2 2 332.492 2.673 10 30 EFEELP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001278250880 1313840460 /nfs/dbraw/zinc/84/04/60/1313840460.db2.gz LKEARISVIJIXOO-ZWKOTPCHSA-N 2 2 344.503 2.676 10 30 EFEELP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866300999 1303594892 /nfs/dbraw/zinc/59/48/92/1303594892.db2.gz YDJJDSSEBVVGOL-OWCLPIDISA-N 2 2 331.460 2.804 10 30 EFEELP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866300999 1303594898 /nfs/dbraw/zinc/59/48/98/1303594898.db2.gz YDJJDSSEBVVGOL-OWCLPIDISA-N 2 2 331.460 2.804 10 30 EFEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866618178 1303713209 /nfs/dbraw/zinc/71/32/09/1303713209.db2.gz WQMGOOKMYHLOHW-HVETUWLQSA-N 2 2 346.478 2.921 10 30 EFEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866618178 1303713214 /nfs/dbraw/zinc/71/32/14/1303713214.db2.gz WQMGOOKMYHLOHW-HVETUWLQSA-N 2 2 346.478 2.921 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001276831147 1311153954 /nfs/dbraw/zinc/15/39/54/1311153954.db2.gz SSPBQVXQQJGWTL-OKZBNKHCSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001276831147 1311153956 /nfs/dbraw/zinc/15/39/56/1311153956.db2.gz SSPBQVXQQJGWTL-OKZBNKHCSA-N 2 2 344.503 2.536 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276875066 1311232884 /nfs/dbraw/zinc/23/28/84/1311232884.db2.gz IXBSRFXCQMGAOV-FUHWJXTLSA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276875066 1311232887 /nfs/dbraw/zinc/23/28/87/1311232887.db2.gz IXBSRFXCQMGAOV-FUHWJXTLSA-N 2 2 332.492 2.606 10 30 EFEELP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cc(C#N)ccn1 ZINC000902756579 1312081676 /nfs/dbraw/zinc/08/16/76/1312081676.db2.gz JLIKBUDQPGRGEV-KRWDZBQOSA-N 2 2 349.482 2.551 10 30 EFEELP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(C#N)ccn1 ZINC000902756579 1312081679 /nfs/dbraw/zinc/08/16/79/1312081679.db2.gz JLIKBUDQPGRGEV-KRWDZBQOSA-N 2 2 349.482 2.551 10 30 EFEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806034 1312122263 /nfs/dbraw/zinc/12/22/63/1312122263.db2.gz HZXOSTKFGZTQAL-NUJGCVRESA-N 2 2 330.476 2.741 10 30 EFEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806034 1312122266 /nfs/dbraw/zinc/12/22/66/1312122266.db2.gz HZXOSTKFGZTQAL-NUJGCVRESA-N 2 2 330.476 2.741 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001277429414 1312156132 /nfs/dbraw/zinc/15/61/32/1312156132.db2.gz NWWSIINZFYHQGL-KBAYOESNSA-N 2 2 344.503 2.801 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001277429414 1312156133 /nfs/dbraw/zinc/15/61/33/1312156133.db2.gz NWWSIINZFYHQGL-KBAYOESNSA-N 2 2 344.503 2.801 10 30 EFEELP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(C#N)ccn1 ZINC000902921293 1312211745 /nfs/dbraw/zinc/21/17/45/1312211745.db2.gz TXOWBEFJFZRACU-PBHICJAKSA-N 2 2 336.443 2.662 10 30 EFEELP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(C#N)ccn1 ZINC000902921294 1312211841 /nfs/dbraw/zinc/21/18/41/1312211841.db2.gz TXOWBEFJFZRACU-RHSMWYFYSA-N 2 2 336.443 2.662 10 30 EFEELP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(C#N)ccn1 ZINC000902921295 1312212030 /nfs/dbraw/zinc/21/20/30/1312212030.db2.gz TXOWBEFJFZRACU-WMLDXEAASA-N 2 2 336.443 2.662 10 30 EFEELP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902993209 1312268334 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KEPIYCNLVKAJLO-YLJYHZDGSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001278668052 1315454173 /nfs/dbraw/zinc/45/41/73/1315454173.db2.gz KEPIYCNLVKAJLO-YLJYHZDGSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCCC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001278911788 1315905731 /nfs/dbraw/zinc/90/57/31/1315905731.db2.gz FCWPMNYENKZDTM-QGZVFWFLSA-N 2 2 332.492 2.581 10 30 EFEELP C=CCCC[N@H+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001278911788 1315905733 /nfs/dbraw/zinc/90/57/33/1315905733.db2.gz FCWPMNYENKZDTM-QGZVFWFLSA-N 2 2 332.492 2.581 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001263994823 1316578693 /nfs/dbraw/zinc/57/86/93/1316578693.db2.gz FAILZTUUBRKBBZ-KURKYZTESA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001264586999 1316636552 /nfs/dbraw/zinc/63/65/52/1316636552.db2.gz WSVCVYBRLJCQCU-NJAFHUGGSA-N 2 2 330.476 2.524 10 30 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TXVAMMLBVLNDKR-KRWDZBQOSA-N 2 2 332.492 2.536 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001284348151 1320330520 /nfs/dbraw/zinc/33/05/20/1320330520.db2.gz RSQKAFPHWSJVES-QGZVFWFLSA-N 2 2 332.492 2.834 10 30 EFEELP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001284686939 1320474387 /nfs/dbraw/zinc/47/43/87/1320474387.db2.gz ZJPAMLURUWVUSB-MRXNPFEDSA-N 2 2 332.492 2.719 10 30 EFEELP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319619432 1328930527 /nfs/dbraw/zinc/93/05/27/1328930527.db2.gz AAKFRHVNGYDKQT-GOSISDBHSA-N 2 2 338.455 2.630 10 30 EFEELP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001319658345 1328941121 /nfs/dbraw/zinc/94/11/21/1328941121.db2.gz YGDAMXVONHJWMN-ROUUACIJSA-N 2 2 344.503 2.676 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001319808896 1328998857 /nfs/dbraw/zinc/99/88/57/1328998857.db2.gz LRYYQZUKNBXHKF-IAGOWNOFSA-N 2 2 345.487 2.816 10 30 EFEELP 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XJVPZVFBASRVJZ-FQEVSTJZSA-N 2 2 344.503 2.931 10 30 EFEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001324164529 1329604569 /nfs/dbraw/zinc/60/45/69/1329604569.db2.gz WHOPXSZPLKBHQX-QGZVFWFLSA-N 2 2 326.444 2.803 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001324557670 1329639845 /nfs/dbraw/zinc/63/98/45/1329639845.db2.gz STWVZGJJXOYDPE-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001324557670 1329639848 /nfs/dbraw/zinc/63/98/48/1329639848.db2.gz STWVZGJJXOYDPE-LJQANCHMSA-N 2 2 330.476 2.554 10 30 EFEELP C=CC[N@H+]1CCc2c(CNC(=O)C[C@H](C)n3cc[nH+]c3)cccc2C1 ZINC001326674491 1330344941 /nfs/dbraw/zinc/34/49/41/1330344941.db2.gz JKLAWRJRIMZJQN-INIZCTEOSA-N 2 2 338.455 2.695 10 30 EFEELP C=CC[N@@H+]1CCc2c(CNC(=O)C[C@H](C)n3cc[nH+]c3)cccc2C1 ZINC001326674491 1330344946 /nfs/dbraw/zinc/34/49/46/1330344946.db2.gz JKLAWRJRIMZJQN-INIZCTEOSA-N 2 2 338.455 2.695 10 30 EFEELP 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SFKUMTVGXKXAKD-HZPDHXFCSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331060219 1330789637 /nfs/dbraw/zinc/78/96/37/1330789637.db2.gz SFKUMTVGXKXAKD-HZPDHXFCSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331060219 1330789639 /nfs/dbraw/zinc/78/96/39/1330789639.db2.gz SFKUMTVGXKXAKD-HZPDHXFCSA-N 2 2 332.492 2.866 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001333003994 1331062891 /nfs/dbraw/zinc/06/28/91/1331062891.db2.gz FTCDOQJGEYVWHX-SJORKVTESA-N 2 2 346.519 2.924 10 30 EFEELP C#CC[N@H+](CCc1ccncc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC001333465719 1331149486 /nfs/dbraw/zinc/14/94/86/1331149486.db2.gz AONFEKTXPJVXHB-UHFFFAOYSA-N 2 2 348.494 2.661 10 30 EFEELP C#CC[N@@H+](CCc1ccncc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC001333465719 1331149490 /nfs/dbraw/zinc/14/94/90/1331149490.db2.gz AONFEKTXPJVXHB-UHFFFAOYSA-N 2 2 348.494 2.661 10 30 EFEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001338406598 1331705058 /nfs/dbraw/zinc/70/50/58/1331705058.db2.gz BGUVNKQOQVJJEN-INIZCTEOSA-N 2 2 327.255 2.714 10 30 EFEELP C=CC[NH+]1CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC001200127448 1333711693 /nfs/dbraw/zinc/71/16/93/1333711693.db2.gz VCFNTQNLPAPUKE-UHFFFAOYSA-N 2 2 349.276 2.837 10 30 EFEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001353325442 1334089907 /nfs/dbraw/zinc/08/99/07/1334089907.db2.gz SZGDGXQDYOCDTA-INIZCTEOSA-N 2 2 327.255 2.714 10 30 EFEELP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001368342894 1339307748 /nfs/dbraw/zinc/30/77/48/1339307748.db2.gz TWISTEJCKHQKJL-GJZGRUSLSA-N 2 2 338.883 2.506 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001399869622 1361539612 /nfs/dbraw/zinc/53/96/12/1361539612.db2.gz PMIUMDIKMYSLET-INIZCTEOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001399869622 1361539614 /nfs/dbraw/zinc/53/96/14/1361539614.db2.gz PMIUMDIKMYSLET-INIZCTEOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001399869622 1361539618 /nfs/dbraw/zinc/53/96/18/1361539618.db2.gz PMIUMDIKMYSLET-INIZCTEOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001399869622 1361539622 /nfs/dbraw/zinc/53/96/22/1361539622.db2.gz PMIUMDIKMYSLET-INIZCTEOSA-N 2 2 341.927 2.973 10 30 EFEELP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001403295502 1364510838 /nfs/dbraw/zinc/51/08/38/1364510838.db2.gz OOBFCZFMVVMYJH-JKSUJKDBSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001403295502 1364510841 /nfs/dbraw/zinc/51/08/41/1364510841.db2.gz OOBFCZFMVVMYJH-JKSUJKDBSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001403295492 1364511269 /nfs/dbraw/zinc/51/12/69/1364511269.db2.gz OOBFCZFMVVMYJH-CVEARBPZSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001403295492 1364511271 /nfs/dbraw/zinc/51/12/71/1364511271.db2.gz OOBFCZFMVVMYJH-CVEARBPZSA-N 2 2 338.883 2.948 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001405185595 1366096044 /nfs/dbraw/zinc/09/60/44/1366096044.db2.gz OZCQSMIXAQAMMK-DLBZAZTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001405185595 1366096046 /nfs/dbraw/zinc/09/60/46/1366096046.db2.gz OZCQSMIXAQAMMK-DLBZAZTESA-N 2 2 341.927 2.926 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140102 1373665984 /nfs/dbraw/zinc/66/59/84/1373665984.db2.gz UCUKWRZOSQOFCA-FUHWJXTLSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001418140102 1373665987 /nfs/dbraw/zinc/66/59/87/1373665987.db2.gz UCUKWRZOSQOFCA-FUHWJXTLSA-N 2 2 349.906 2.870 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001422268641 1379885202 /nfs/dbraw/zinc/88/52/02/1379885202.db2.gz IRLSAVLKZYOFRO-LSDHHAIUSA-N 2 2 338.883 2.554 10 30 EFEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001422758860 1380766614 /nfs/dbraw/zinc/76/66/14/1380766614.db2.gz CVQKFSZSXQIZQI-RDJZCZTQSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001423647665 1382219485 /nfs/dbraw/zinc/21/94/85/1382219485.db2.gz BMACZKDMXVOLME-LSDHHAIUSA-N 2 2 338.883 2.803 10 30 EFEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001423976630 1382579442 /nfs/dbraw/zinc/57/94/42/1382579442.db2.gz RFQFCKGRHUEPPM-WBMJQRKESA-N 2 2 346.862 2.693 10 30 EFEELP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001506853045 1406339292 /nfs/dbraw/zinc/33/92/92/1406339292.db2.gz AHKLVXNURMQMMP-GBESFXJTSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001506853045 1406339305 /nfs/dbraw/zinc/33/93/05/1406339305.db2.gz AHKLVXNURMQMMP-GBESFXJTSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001448147118 1391988485 /nfs/dbraw/zinc/98/84/85/1391988485.db2.gz VSQQBSXWUZXFLQ-JKSUJKDBSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001448147118 1391988493 /nfs/dbraw/zinc/98/84/93/1391988493.db2.gz VSQQBSXWUZXFLQ-JKSUJKDBSA-N 2 2 329.916 2.686 10 30 EFEELP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001448220733 1392027656 /nfs/dbraw/zinc/02/76/56/1392027656.db2.gz KFCZHDWFQRFDJJ-ZIAGYGMSSA-N 2 2 336.867 2.674 10 30 EFEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001507018944 1406596460 /nfs/dbraw/zinc/59/64/60/1406596460.db2.gz UMUNQQOVHDMLCH-LJQANCHMSA-N 2 2 338.455 2.889 10 30 EFEELP 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AQDKJECQJGGGSP-DLBZAZTESA-N 2 2 332.492 2.845 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001479986997 1398072085 /nfs/dbraw/zinc/07/20/85/1398072085.db2.gz UAKQETRWWNKPFJ-WMZOPIPTSA-N 2 2 344.503 2.678 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001479990048 1398075048 /nfs/dbraw/zinc/07/50/48/1398075048.db2.gz XVAGXHQPEFPHGT-DOTOQJQBSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001479990048 1398075053 /nfs/dbraw/zinc/07/50/53/1398075053.db2.gz XVAGXHQPEFPHGT-DOTOQJQBSA-N 2 2 330.476 2.525 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001507352461 1406934643 /nfs/dbraw/zinc/93/46/43/1406934643.db2.gz YMRDVNQLJIQEGA-YQVWRLOYSA-N 2 2 330.476 2.914 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001507352461 1406934656 /nfs/dbraw/zinc/93/46/56/1406934656.db2.gz YMRDVNQLJIQEGA-YQVWRLOYSA-N 2 2 330.476 2.914 10 30 EFEELP CCCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001493121115 1398459280 /nfs/dbraw/zinc/45/92/80/1398459280.db2.gz RDJSDNOWIMAVOD-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001493121115 1398459283 /nfs/dbraw/zinc/45/92/83/1398459283.db2.gz RDJSDNOWIMAVOD-QZTJIDSGSA-N 2 2 346.519 2.997 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493213313 1398538022 /nfs/dbraw/zinc/53/80/22/1398538022.db2.gz IRWNURHOFTYBIN-HOTGVXAUSA-N 2 2 338.883 2.661 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493213313 1398538024 /nfs/dbraw/zinc/53/80/24/1398538024.db2.gz IRWNURHOFTYBIN-HOTGVXAUSA-N 2 2 338.883 2.661 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493213316 1398538100 /nfs/dbraw/zinc/53/81/00/1398538100.db2.gz IRWNURHOFTYBIN-HZPDHXFCSA-N 2 2 338.883 2.661 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001493213316 1398538102 /nfs/dbraw/zinc/53/81/02/1398538102.db2.gz IRWNURHOFTYBIN-HZPDHXFCSA-N 2 2 338.883 2.661 10 30 EFEELP C=CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001507369773 1406965227 /nfs/dbraw/zinc/96/52/27/1406965227.db2.gz VXJLUABDHFYFJB-GUDVDZBRSA-N 2 2 344.503 2.846 10 30 EFEELP C=C(C)C[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001493859158 1398929135 /nfs/dbraw/zinc/92/91/35/1398929135.db2.gz NEZXDEWBBCRGNW-GOSISDBHSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)C[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001493859158 1398929136 /nfs/dbraw/zinc/92/91/36/1398929136.db2.gz NEZXDEWBBCRGNW-GOSISDBHSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001493859158 1398929140 /nfs/dbraw/zinc/92/91/40/1398929140.db2.gz NEZXDEWBBCRGNW-GOSISDBHSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001493859158 1398929142 /nfs/dbraw/zinc/92/91/42/1398929142.db2.gz NEZXDEWBBCRGNW-GOSISDBHSA-N 2 2 347.507 2.583 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493966368 1399017763 /nfs/dbraw/zinc/01/77/63/1399017763.db2.gz CGAAATZZPLYOIX-RCCFBDPRSA-N 2 2 344.503 2.803 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493966368 1399017766 /nfs/dbraw/zinc/01/77/66/1399017766.db2.gz CGAAATZZPLYOIX-RCCFBDPRSA-N 2 2 344.503 2.803 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494035564 1399078979 /nfs/dbraw/zinc/07/89/79/1399078979.db2.gz XFSRFNOQIJJOHY-INIZCTEOSA-N 2 2 326.444 2.742 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494035564 1399078983 /nfs/dbraw/zinc/07/89/83/1399078983.db2.gz XFSRFNOQIJJOHY-INIZCTEOSA-N 2 2 326.444 2.742 10 30 EFEELP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001507404669 1407016227 /nfs/dbraw/zinc/01/62/27/1407016227.db2.gz WHGXKDDZFQRGNY-CABCVRRESA-N 2 2 338.883 2.554 10 30 EFEELP C=CCCC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001495327864 1399855966 /nfs/dbraw/zinc/85/59/66/1399855966.db2.gz WVNKUOVXBISSOD-DNVCBOLYSA-N 2 2 332.492 2.882 10 30 EFEELP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001495359694 1399903892 /nfs/dbraw/zinc/90/38/92/1399903892.db2.gz MEDGVJDJLVAKJN-QZTJIDSGSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001495455590 1399993635 /nfs/dbraw/zinc/99/36/35/1399993635.db2.gz QYRMCMBJXJUSQC-QAQDUYKDSA-N 2 2 326.444 2.849 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001495458569 1399996800 /nfs/dbraw/zinc/99/68/00/1399996800.db2.gz SMDMJHAQRCTCPQ-BRSBDYLESA-N 2 2 344.503 2.817 10 30 EFEELP 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ZINC001566615506 1415697030 /nfs/dbraw/zinc/69/70/30/1415697030.db2.gz MKOCCURHAJCQBX-KRWDZBQOSA-N 2 2 332.492 2.941 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001566739983 1415754481 /nfs/dbraw/zinc/75/44/81/1415754481.db2.gz NROUSMNZZVUPOF-IRXDYDNUSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001566739983 1415754483 /nfs/dbraw/zinc/75/44/83/1415754483.db2.gz NROUSMNZZVUPOF-IRXDYDNUSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001566739983 1415754486 /nfs/dbraw/zinc/75/44/86/1415754486.db2.gz NROUSMNZZVUPOF-IRXDYDNUSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001566739983 1415754490 /nfs/dbraw/zinc/75/44/90/1415754490.db2.gz NROUSMNZZVUPOF-IRXDYDNUSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001567684873 1416247370 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IMRCSMLQGMGISL-JKSUJKDBSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001568414776 1416522593 /nfs/dbraw/zinc/52/25/93/1416522593.db2.gz OZQXBICJUVIKNQ-HOTGVXAUSA-N 2 2 332.492 2.870 10 30 EFEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001689126202 1417018579 /nfs/dbraw/zinc/01/85/79/1417018579.db2.gz CFKCRKHOXPBVQD-DNVCBOLYSA-N 2 2 338.455 2.807 10 30 EFEELP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001690128445 1417161077 /nfs/dbraw/zinc/16/10/77/1417161077.db2.gz PAYAFJMBHHXHFB-GOSISDBHSA-N 2 2 346.519 2.904 10 30 EFEELP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001690718683 1417230032 /nfs/dbraw/zinc/23/00/32/1417230032.db2.gz MOGTVLHXXKTTKL-ROUUACIJSA-N 2 2 346.519 2.854 10 30 EFEELP C=CC[N@@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001692016314 1417252881 /nfs/dbraw/zinc/25/28/81/1417252881.db2.gz CWDIXQLQOUEUFM-UHFFFAOYSA-N 2 2 338.455 2.842 10 30 EFEELP C=CC[N@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001692016314 1417252882 /nfs/dbraw/zinc/25/28/82/1417252882.db2.gz CWDIXQLQOUEUFM-UHFFFAOYSA-N 2 2 338.455 2.842 10 30 EFEELP C=C(C)CC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001698662410 1417308868 /nfs/dbraw/zinc/30/88/68/1417308868.db2.gz MFBJVPVGZZRJLZ-KXBFYZLASA-N 2 2 332.492 2.882 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699627008 1417438723 /nfs/dbraw/zinc/43/87/23/1417438723.db2.gz JYAKOYGCJZYGRQ-IRXDYDNUSA-N 2 2 332.492 2.606 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699627008 1417438726 /nfs/dbraw/zinc/43/87/26/1417438726.db2.gz JYAKOYGCJZYGRQ-IRXDYDNUSA-N 2 2 332.492 2.606 10 30 EFEELP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001699680636 1417449017 /nfs/dbraw/zinc/44/90/17/1417449017.db2.gz GLNVALNLGQFATA-XYTVBORESA-N 2 2 330.476 2.809 10 30 EFEELP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001699862505 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C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724341333 1424741788 /nfs/dbraw/zinc/74/17/88/1424741788.db2.gz TWQAWMATQYAEGK-LPHOPBHVSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724341333 1424741794 /nfs/dbraw/zinc/74/17/94/1424741794.db2.gz TWQAWMATQYAEGK-LPHOPBHVSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724341333 1424741797 /nfs/dbraw/zinc/74/17/97/1424741797.db2.gz TWQAWMATQYAEGK-LPHOPBHVSA-N 2 2 332.492 2.773 10 30 EFEELP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001724707294 1424926017 /nfs/dbraw/zinc/92/60/17/1424926017.db2.gz JTDCMNKVAQJTKJ-QGZVFWFLSA-N 2 2 344.503 2.556 10 30 EFEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001724747329 1424976945 /nfs/dbraw/zinc/97/69/45/1424976945.db2.gz OVBBCFGATGTCQZ-MRXNPFEDSA-N 2 2 340.471 2.896 10 30 EFEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001724747328 1424977089 /nfs/dbraw/zinc/97/70/89/1424977089.db2.gz OVBBCFGATGTCQZ-INIZCTEOSA-N 2 2 340.471 2.896 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898418 1425117738 /nfs/dbraw/zinc/11/77/38/1425117738.db2.gz LSMWYUWHQIKNAA-OXJNMPFZSA-N 2 2 344.503 2.930 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001724898418 1425117741 /nfs/dbraw/zinc/11/77/41/1425117741.db2.gz LSMWYUWHQIKNAA-OXJNMPFZSA-N 2 2 344.503 2.930 10 30 EFEELP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001724923170 1425135589 /nfs/dbraw/zinc/13/55/89/1425135589.db2.gz KUMWIKJQRMLBNE-NRFANRHFSA-N 2 2 347.462 2.555 10 30 EFEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC001724923170 1425135594 /nfs/dbraw/zinc/13/55/94/1425135594.db2.gz KUMWIKJQRMLBNE-NRFANRHFSA-N 2 2 347.462 2.555 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC/C=C\CCC)CC1(C)C ZINC001725286125 1425439494 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2 336.524 2.543 10 30 EFEELP C[NH+](C)Cc1ccc(C[NH2+]CC2(C#N)CCC2)c2c1OC(F)(F)O2 ZINC000895024435 723057426 /nfs/dbraw/zinc/05/74/26/723057426.db2.gz AZNDHLIZAHIDOI-UHFFFAOYSA-N 2 2 337.370 2.853 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940885376 728301499 /nfs/dbraw/zinc/30/14/99/728301499.db2.gz AOAHGMVGGCWDHU-INIZCTEOSA-N 2 2 326.444 2.741 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940885376 728301501 /nfs/dbraw/zinc/30/15/01/728301501.db2.gz AOAHGMVGGCWDHU-INIZCTEOSA-N 2 2 326.444 2.741 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001569436006 1085208466 /nfs/dbraw/zinc/20/84/66/1085208466.db2.gz DFQAHJLQROHBNR-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001569436006 1085208477 /nfs/dbraw/zinc/20/84/77/1085208477.db2.gz DFQAHJLQROHBNR-MOPGFXCFSA-N 2 2 344.503 2.942 10 30 EFEELP 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ZINC001569499840 1085304588 /nfs/dbraw/zinc/30/45/88/1085304588.db2.gz QVSABVBUWMNLDB-KRWDZBQOSA-N 2 2 344.503 2.643 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001569642457 1085472597 /nfs/dbraw/zinc/47/25/97/1085472597.db2.gz DNGMYJQJYYSLFV-XLIONFOSSA-N 2 2 346.519 2.997 10 30 EFEELP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001569642457 1085472601 /nfs/dbraw/zinc/47/26/01/1085472601.db2.gz DNGMYJQJYYSLFV-XLIONFOSSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001569988765 1085824820 /nfs/dbraw/zinc/82/48/20/1085824820.db2.gz ZXAGZKJBIMDXJM-OAHLLOKOSA-N 2 2 326.444 2.971 10 30 EFEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001570032888 1085885458 /nfs/dbraw/zinc/88/54/58/1085885458.db2.gz HDDFXBMMOPDUHO-CVEARBPZSA-N 2 2 338.455 2.579 10 30 EFEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001570032888 1085885464 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C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267170090 1093045412 /nfs/dbraw/zinc/04/54/12/1093045412.db2.gz DKCVTTSZGZUGPE-MSOLQXFVSA-N 2 2 344.503 2.773 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267178610 1093087027 /nfs/dbraw/zinc/08/70/27/1093087027.db2.gz XVZCROZBWLFSMQ-XJKSGUPXSA-N 2 2 338.883 2.702 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267178610 1093087031 /nfs/dbraw/zinc/08/70/31/1093087031.db2.gz XVZCROZBWLFSMQ-XJKSGUPXSA-N 2 2 338.883 2.702 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267657733 1095357734 /nfs/dbraw/zinc/35/77/34/1095357734.db2.gz DAQPPOCEJWDNKX-IAGOWNOFSA-N 2 2 345.487 2.768 10 30 EFEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267657733 1095357751 /nfs/dbraw/zinc/35/77/51/1095357751.db2.gz DAQPPOCEJWDNKX-IAGOWNOFSA-N 2 2 345.487 2.768 10 30 EFEELP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001268118369 1095401171 /nfs/dbraw/zinc/40/11/71/1095401171.db2.gz BKXGEJBCUXNJHB-SJLPKXTDSA-N 2 2 330.476 2.512 10 30 EFEELP C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481626188 1095920458 /nfs/dbraw/zinc/92/04/58/1095920458.db2.gz WRQBLMTUXFFEPW-AWEZNQCLSA-N 2 2 326.444 2.659 10 30 EFEELP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268169207 1095935681 /nfs/dbraw/zinc/93/56/81/1095935681.db2.gz AEADHNMMKMFACP-GJZGRUSLSA-N 2 2 326.444 2.969 10 30 EFEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001268187744 1096053720 /nfs/dbraw/zinc/05/37/20/1096053720.db2.gz FVEFYVBTYVZGJC-WBVHZDCISA-N 2 2 326.444 2.741 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001268194410 1096071420 /nfs/dbraw/zinc/07/14/20/1096071420.db2.gz IRHRGZJXZGBUPG-SJORKVTESA-N 2 2 344.503 2.697 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001268194410 1096071424 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C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001675317379 1106339548 /nfs/dbraw/zinc/33/95/48/1106339548.db2.gz GAULXVVCFQFVKG-SJLPKXTDSA-N 2 2 332.492 2.873 10 30 EFEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001675528541 1106380697 /nfs/dbraw/zinc/38/06/97/1106380697.db2.gz ZVPBSNHOIJIDTE-LUKYLMHMSA-N 2 2 338.455 2.597 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001675528541 1106380702 /nfs/dbraw/zinc/38/07/02/1106380702.db2.gz ZVPBSNHOIJIDTE-LUKYLMHMSA-N 2 2 338.455 2.597 10 30 EFEELP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001675641538 1106401446 /nfs/dbraw/zinc/40/14/46/1106401446.db2.gz ACICWKPPJQRAHO-BZSNNMDCSA-N 2 2 344.503 2.536 10 30 EFEELP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001675641538 1106401449 /nfs/dbraw/zinc/40/14/49/1106401449.db2.gz ACICWKPPJQRAHO-BZSNNMDCSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001675678334 1106409057 /nfs/dbraw/zinc/40/90/57/1106409057.db2.gz OUHUNUBUPZTMNQ-HNNXBMFYSA-N 2 2 330.476 2.540 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001675678334 1106409059 /nfs/dbraw/zinc/40/90/59/1106409059.db2.gz OUHUNUBUPZTMNQ-HNNXBMFYSA-N 2 2 330.476 2.540 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001676837281 1106599181 /nfs/dbraw/zinc/59/91/81/1106599181.db2.gz GHFZGNCSCCRJDU-FGTMMUONSA-N 2 2 344.503 2.536 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001676837283 1106599214 /nfs/dbraw/zinc/59/92/14/1106599214.db2.gz GHFZGNCSCCRJDU-OKZBNKHCSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001676846736 1106602713 /nfs/dbraw/zinc/60/27/13/1106602713.db2.gz SDUSIRXHHVIDBS-YTQUADARSA-N 2 2 344.503 2.536 10 30 EFEELP C=CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001677165075 1106670912 /nfs/dbraw/zinc/67/09/12/1106670912.db2.gz RXJYTPSXYOXWOS-FUHWJXTLSA-N 2 2 347.503 2.726 10 30 EFEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001677165075 1106670915 /nfs/dbraw/zinc/67/09/15/1106670915.db2.gz RXJYTPSXYOXWOS-FUHWJXTLSA-N 2 2 347.503 2.726 10 30 EFEELP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001677263539 1106686495 /nfs/dbraw/zinc/68/64/95/1106686495.db2.gz UDJBOVWWGOOYDS-RDJZCZTQSA-N 2 2 332.492 2.532 10 30 EFEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001677334714 1106699328 /nfs/dbraw/zinc/69/93/28/1106699328.db2.gz GRLMMSCVVABBHE-SJLPKXTDSA-N 2 2 344.503 2.628 10 30 EFEELP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272281173 1107446371 /nfs/dbraw/zinc/44/63/71/1107446371.db2.gz PFEXPLWRLIDZEE-IRXDYDNUSA-N 2 2 332.492 2.767 10 30 EFEELP C=CC[NH+]=C(NCCc1[nH+]ccn1C(F)F)NCc1ccccc1 ZINC000084638129 1107473303 /nfs/dbraw/zinc/47/33/03/1107473303.db2.gz XSEYIMBZAZMKGP-UHFFFAOYSA-N 2 2 333.386 2.742 10 30 EFEELP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924630593 1107987975 /nfs/dbraw/zinc/98/79/75/1107987975.db2.gz HGEJQPSXJFUWFT-MOPGFXCFSA-N 2 2 344.503 2.577 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272226435 1108330719 /nfs/dbraw/zinc/33/07/19/1108330719.db2.gz ROFGEMYVZLQGSI-WMZOPIPTSA-N 2 2 332.492 2.845 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272226435 1108330732 /nfs/dbraw/zinc/33/07/32/1108330732.db2.gz ROFGEMYVZLQGSI-WMZOPIPTSA-N 2 2 332.492 2.845 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483846012 1112505286 /nfs/dbraw/zinc/50/52/86/1112505286.db2.gz DIRDCWSGHSUQPX-OXQOHEQNSA-N 2 2 344.503 2.966 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483846012 1112505288 /nfs/dbraw/zinc/50/52/88/1112505288.db2.gz DIRDCWSGHSUQPX-OXQOHEQNSA-N 2 2 344.503 2.966 10 30 EFEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001483993114 1112642160 /nfs/dbraw/zinc/64/21/60/1112642160.db2.gz TXRNOEPEEXCTML-LJQANCHMSA-N 2 2 334.423 2.739 10 30 EFEELP C=CC[NH+]1CCC(C)(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001484143296 1112831030 /nfs/dbraw/zinc/83/10/30/1112831030.db2.gz HMSKKZFOXZDSDL-UHFFFAOYSA-N 2 2 340.471 2.590 10 30 EFEELP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001484546935 1112999935 /nfs/dbraw/zinc/99/99/35/1112999935.db2.gz LNLRODQUKKTNGM-JKSUJKDBSA-N 2 2 332.492 2.870 10 30 EFEELP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CCc1[nH+]ccn1C ZINC001484556017 1113017275 /nfs/dbraw/zinc/01/72/75/1113017275.db2.gz HIQZQZAULPAMAS-UHFFFAOYSA-N 2 2 340.471 2.677 10 30 EFEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001484568853 1113023541 /nfs/dbraw/zinc/02/35/41/1113023541.db2.gz SZIBAUKBXCENCE-KZNAEPCWSA-N 2 2 332.492 2.921 10 30 EFEELP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001484618815 1113069091 /nfs/dbraw/zinc/06/90/91/1113069091.db2.gz ZYBARSAJQGPIKM-GOSISDBHSA-N 2 2 340.471 2.732 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001485240093 1118171896 /nfs/dbraw/zinc/17/18/96/1118171896.db2.gz OZJZULJPURQTRG-UHFFFAOYSA-N 2 2 332.492 2.678 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001485242210 1118173786 /nfs/dbraw/zinc/17/37/86/1118173786.db2.gz WWNJVMSEHVLENM-KLHKWILBSA-N 2 2 332.492 2.914 10 30 EFEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001485242210 1118173788 /nfs/dbraw/zinc/17/37/88/1118173788.db2.gz WWNJVMSEHVLENM-KLHKWILBSA-N 2 2 332.492 2.914 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001485512871 1118420849 /nfs/dbraw/zinc/42/08/49/1118420849.db2.gz OTDDMVPTUXTCNC-ZIAGYGMSSA-N 2 2 326.444 2.968 10 30 EFEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001272707465 1118755194 /nfs/dbraw/zinc/75/51/94/1118755194.db2.gz CCZJPFVEJSRZTA-HNNXBMFYSA-N 2 2 326.444 2.506 10 30 EFEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001272707466 1118755457 /nfs/dbraw/zinc/75/54/57/1118755457.db2.gz CCZJPFVEJSRZTA-OAHLLOKOSA-N 2 2 326.444 2.506 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000181798496 234325596 /nfs/dbraw/zinc/32/55/96/234325596.db2.gz ULUFTJBKLXTWQE-UYAOXDASSA-N 2 2 327.472 2.663 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000181861519 234356733 /nfs/dbraw/zinc/35/67/33/234356733.db2.gz QLNAELUWFNLQCK-NRFANRHFSA-N 2 2 349.478 2.888 10 30 EFEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000245570358 240258051 /nfs/dbraw/zinc/25/80/51/240258051.db2.gz WVVBLLVCSZJLRX-IAGOWNOFSA-N 2 2 343.471 2.663 10 30 EFEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000245570358 240258057 /nfs/dbraw/zinc/25/80/57/240258057.db2.gz WVVBLLVCSZJLRX-IAGOWNOFSA-N 2 2 343.471 2.663 10 30 EFEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@]1(C)CCCS1 ZINC000262015121 240339520 /nfs/dbraw/zinc/33/95/20/240339520.db2.gz XNOUZCNFNTYQEO-QGZVFWFLSA-N 2 2 335.521 2.560 10 30 EFEELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328652986 241210326 /nfs/dbraw/zinc/21/03/26/241210326.db2.gz KUKAABPATRAHCE-BBWFWOEESA-N 2 2 345.491 2.542 10 30 EFEELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328652986 241210328 /nfs/dbraw/zinc/21/03/28/241210328.db2.gz KUKAABPATRAHCE-BBWFWOEESA-N 2 2 345.491 2.542 10 30 EFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CCC2 ZINC000328655260 241213161 /nfs/dbraw/zinc/21/31/61/241213161.db2.gz MQAHRJMVJQUWHM-DLBZAZTESA-N 2 2 345.491 2.543 10 30 EFEELP C=CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000357552303 242100279 /nfs/dbraw/zinc/10/02/79/242100279.db2.gz LSHABZZUEUYNBF-KRWDZBQOSA-N 2 2 327.472 2.542 10 30 EFEELP C=CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000357552303 242100283 /nfs/dbraw/zinc/10/02/83/242100283.db2.gz LSHABZZUEUYNBF-KRWDZBQOSA-N 2 2 327.472 2.542 10 30 EFEELP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1OC ZINC000449392180 251008456 /nfs/dbraw/zinc/00/84/56/251008456.db2.gz JKXNPTMHTWLECO-SFHVURJKSA-N 2 2 348.487 2.587 10 30 EFEELP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1OC ZINC000449392180 251008461 /nfs/dbraw/zinc/00/84/61/251008461.db2.gz JKXNPTMHTWLECO-SFHVURJKSA-N 2 2 348.487 2.587 10 30 EFEELP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000349083653 146049772 /nfs/dbraw/zinc/04/97/72/146049772.db2.gz YMUYXKCMMCBTIT-UHFFFAOYSA-N 2 2 337.427 2.671 10 30 EFEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000123163070 222228088 /nfs/dbraw/zinc/22/80/88/222228088.db2.gz IMVWBEPIOKLTIZ-DOMZBBRYSA-N 2 2 334.851 2.565 10 30 EFEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000123163070 222228091 /nfs/dbraw/zinc/22/80/91/222228091.db2.gz IMVWBEPIOKLTIZ-DOMZBBRYSA-N 2 2 334.851 2.565 10 30 EFEELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123163070 222228094 /nfs/dbraw/zinc/22/80/94/222228094.db2.gz IMVWBEPIOKLTIZ-DOMZBBRYSA-N 2 2 334.851 2.565 10 30 EFEELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH+]1C ZINC000123163070 222228096 /nfs/dbraw/zinc/22/80/96/222228096.db2.gz IMVWBEPIOKLTIZ-DOMZBBRYSA-N 2 2 334.851 2.565 10 30 EFEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470130 270037269 /nfs/dbraw/zinc/03/72/69/270037269.db2.gz OUPJGFXJQKMJAQ-KBXCAEBGSA-N 2 2 329.444 2.507 10 30 EFEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470130 270037271 /nfs/dbraw/zinc/03/72/71/270037271.db2.gz OUPJGFXJQKMJAQ-KBXCAEBGSA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470130 270037273 /nfs/dbraw/zinc/03/72/73/270037273.db2.gz OUPJGFXJQKMJAQ-KBXCAEBGSA-N 2 2 329.444 2.507 10 30 EFEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000534470130 270037275 /nfs/dbraw/zinc/03/72/75/270037275.db2.gz OUPJGFXJQKMJAQ-KBXCAEBGSA-N 2 2 329.444 2.507 10 30 EFEELP N#Cc1csc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000555103278 318345485 /nfs/dbraw/zinc/34/54/85/318345485.db2.gz BIBSNCYESFRINY-UHFFFAOYSA-N 2 2 327.457 2.927 10 30 EFEELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153104 478801629 /nfs/dbraw/zinc/80/16/29/478801629.db2.gz JASFUJKLJWOMKZ-IBGZPJMESA-N 2 2 326.444 2.866 10 30 EFEELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153104 478801635 /nfs/dbraw/zinc/80/16/35/478801635.db2.gz JASFUJKLJWOMKZ-IBGZPJMESA-N 2 2 326.444 2.866 10 30 EFEELP Cc1cc([NH+]=CN2CC[NH+](C)CC2)n2c3ccccc3nc2c1C#N ZINC000006400018 471543700 /nfs/dbraw/zinc/54/37/00/471543700.db2.gz KAZKACBHYUXCST-UHFFFAOYSA-N 2 2 332.411 2.575 10 30 EFEELP C[NH+]1CCN(C=[NH+]C2=NN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000012728405 471791820 /nfs/dbraw/zinc/79/18/20/471791820.db2.gz GQTFFEULGUPLRB-UHFFFAOYSA-N 2 2 339.365 2.505 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000120046210 472621866 /nfs/dbraw/zinc/62/18/66/472621866.db2.gz WYQXSJUBQOJXQG-FQEVSTJZSA-N 2 2 343.515 2.853 10 30 EFEELP C=CCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000120046210 472621872 /nfs/dbraw/zinc/62/18/72/472621872.db2.gz WYQXSJUBQOJXQG-FQEVSTJZSA-N 2 2 343.515 2.853 10 30 EFEELP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OCCCC#N ZINC000091671627 472792281 /nfs/dbraw/zinc/79/22/81/472792281.db2.gz HARIBTNBTLIWHP-UHFFFAOYSA-N 2 2 331.460 2.904 10 30 EFEELP Cn1cc[nH+]c1CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135202054 473034900 /nfs/dbraw/zinc/03/49/00/473034900.db2.gz UVUQZNSRHMTRCC-UHFFFAOYSA-N 2 2 337.471 2.539 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000122874968 473068985 /nfs/dbraw/zinc/06/89/85/473068985.db2.gz GHNTYBUSRABXPM-MRXNPFEDSA-N 2 2 334.427 2.802 10 30 EFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000122874968 473068989 /nfs/dbraw/zinc/06/89/89/473068989.db2.gz GHNTYBUSRABXPM-MRXNPFEDSA-N 2 2 334.427 2.802 10 30 EFEELP C=CC[NH+](CC=C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052869069 473158676 /nfs/dbraw/zinc/15/86/76/473158676.db2.gz ANRFHGXRZQLGQQ-GOSISDBHSA-N 2 2 327.472 2.566 10 30 EFEELP Cc1ccc(C#N)c(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000126874979 473554475 /nfs/dbraw/zinc/55/44/75/473554475.db2.gz PWTMHXMEENRQEA-UHFFFAOYSA-N 2 2 327.476 2.624 10 30 EFEELP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000153052788 473606018 /nfs/dbraw/zinc/60/60/18/473606018.db2.gz WKSJZKRAXPJYHT-UHFFFAOYSA-N 3 2 328.504 2.676 10 30 EFEELP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670706 473935807 /nfs/dbraw/zinc/93/58/07/473935807.db2.gz JQPXCMKZDKZJAB-CVEARBPZSA-N 2 2 339.443 2.531 10 30 EFEELP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000182032737 474084434 /nfs/dbraw/zinc/08/44/34/474084434.db2.gz AVOCHIUWVUERIE-HNNXBMFYSA-N 2 2 337.471 2.775 10 30 EFEELP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000182032737 474084439 /nfs/dbraw/zinc/08/44/39/474084439.db2.gz AVOCHIUWVUERIE-HNNXBMFYSA-N 2 2 337.471 2.775 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292069441 474830850 /nfs/dbraw/zinc/83/08/50/474830850.db2.gz DKWXIWMGSQVBCH-QFBILLFUSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292069441 474830865 /nfs/dbraw/zinc/83/08/65/474830865.db2.gz DKWXIWMGSQVBCH-QFBILLFUSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292069441 474830869 /nfs/dbraw/zinc/83/08/69/474830869.db2.gz DKWXIWMGSQVBCH-QFBILLFUSA-N 2 2 347.528 2.679 10 30 EFEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292069441 474830874 /nfs/dbraw/zinc/83/08/74/474830874.db2.gz DKWXIWMGSQVBCH-QFBILLFUSA-N 2 2 347.528 2.679 10 30 EFEELP CCc1noc(C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329624527 475099407 /nfs/dbraw/zinc/09/94/07/475099407.db2.gz SLNCMXCVOAGYMW-UHFFFAOYSA-N 2 2 348.491 2.800 10 30 EFEELP C=CCCc1ccccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000337585353 475155420 /nfs/dbraw/zinc/15/54/20/475155420.db2.gz DTZNLVRXXOCZBT-UHFFFAOYSA-N 2 2 344.503 2.953 10 30 EFEELP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000352812308 475645568 /nfs/dbraw/zinc/64/55/68/475645568.db2.gz XQCKRAKGQXTDKT-ZDUSSCGKSA-N 2 2 341.377 2.635 10 30 EFEELP Cc1ccnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000363684680 476494385 /nfs/dbraw/zinc/49/43/85/476494385.db2.gz ZEXDGNLULJCPCG-UHFFFAOYSA-N 2 2 327.476 2.624 10 30 EFEELP Cc1ccc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c[nH+]1 ZINC000370069970 476655960 /nfs/dbraw/zinc/65/59/60/476655960.db2.gz LPYNLJQFNYTVIE-UHFFFAOYSA-N 2 2 340.471 2.912 10 30 EFEELP C=CCn1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)nn1 ZINC000424301285 477362725 /nfs/dbraw/zinc/36/27/25/477362725.db2.gz ZQZXIFVPPLPDSO-QGZVFWFLSA-N 2 2 339.487 2.649 10 30 EFEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(C(F)(F)F)c1 ZINC000449393781 477562525 /nfs/dbraw/zinc/56/25/25/477562525.db2.gz DCYWABQPORUSIM-HNNXBMFYSA-N 2 2 341.377 2.513 10 30 EFEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(C(F)(F)F)c1 ZINC000449393781 477562531 /nfs/dbraw/zinc/56/25/31/477562531.db2.gz DCYWABQPORUSIM-HNNXBMFYSA-N 2 2 341.377 2.513 10 30 EFEELP N#Cc1csc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000562205510 478220160 /nfs/dbraw/zinc/22/01/60/478220160.db2.gz GQNJLOXAOLAWQW-CYBMUJFWSA-N 2 2 327.457 2.927 10 30 EFEELP N#Cc1csc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000562205510 478220163 /nfs/dbraw/zinc/22/01/63/478220163.db2.gz GQNJLOXAOLAWQW-CYBMUJFWSA-N 2 2 327.457 2.927 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819119 478355174 /nfs/dbraw/zinc/35/51/74/478355174.db2.gz SMEADDIFALCJKP-LJQANCHMSA-N 2 2 335.536 2.999 10 30 EFEELP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819119 478355183 /nfs/dbraw/zinc/35/51/83/478355183.db2.gz SMEADDIFALCJKP-LJQANCHMSA-N 2 2 335.536 2.999 10 30 EFEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445527 478393291 /nfs/dbraw/zinc/39/32/91/478393291.db2.gz HAAZNAKPFWYXTE-ZFWWWQNUSA-N 2 2 349.504 2.725 10 30 EFEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)C1 ZINC000594445527 478393298 /nfs/dbraw/zinc/39/32/98/478393298.db2.gz HAAZNAKPFWYXTE-ZFWWWQNUSA-N 2 2 349.504 2.725 10 30 EFEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594995103 478622314 /nfs/dbraw/zinc/62/23/14/478622314.db2.gz OIFBMHWAXOUUQN-NYLDSWQDSA-N 2 2 340.515 2.865 10 30 EFEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594995103 478622323 /nfs/dbraw/zinc/62/23/23/478622323.db2.gz OIFBMHWAXOUUQN-NYLDSWQDSA-N 2 2 340.515 2.865 10 30 EFEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3COC4(CCC4)C3)CC2)c1 ZINC000595045796 478640582 /nfs/dbraw/zinc/64/05/82/478640582.db2.gz HKQYZPQZJHHSBU-IBGZPJMESA-N 2 2 325.456 2.824 10 30 EFEELP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000595464180 478799432 /nfs/dbraw/zinc/79/94/32/478799432.db2.gz FAONVAQPHCIUHN-UHFFFAOYSA-N 2 2 335.333 2.622 10 30 EFEELP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000565045339 478897244 /nfs/dbraw/zinc/89/72/44/478897244.db2.gz YNRKTRSWFKKJKU-CXAGYDPISA-N 2 2 325.372 2.746 10 30 EFEELP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000565045339 478897255 /nfs/dbraw/zinc/89/72/55/478897255.db2.gz YNRKTRSWFKKJKU-CXAGYDPISA-N 2 2 325.372 2.746 10 30 EFEELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595636545 478906273 /nfs/dbraw/zinc/90/62/73/478906273.db2.gz PZDUXCTUOPAMEL-FQEVSTJZSA-N 2 2 337.467 2.876 10 30 EFEELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595636545 478906281 /nfs/dbraw/zinc/90/62/81/478906281.db2.gz PZDUXCTUOPAMEL-FQEVSTJZSA-N 2 2 337.467 2.876 10 30 EFEELP C=CCCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000565607704 479045575 /nfs/dbraw/zinc/04/55/75/479045575.db2.gz QUFJMPOFZQBOPZ-DFNIBXOVSA-N 2 2 348.535 2.685 10 30 EFEELP C=CCCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000565607704 479045583 /nfs/dbraw/zinc/04/55/83/479045583.db2.gz QUFJMPOFZQBOPZ-DFNIBXOVSA-N 2 2 348.535 2.685 10 30 EFEELP N#Cc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000593124904 479192240 /nfs/dbraw/zinc/19/22/40/479192240.db2.gz KSJHJLSEUHNBBR-UHFFFAOYSA-N 2 2 333.435 2.906 10 30 EFEELP N#Cc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000593124904 479192247 /nfs/dbraw/zinc/19/22/47/479192247.db2.gz KSJHJLSEUHNBBR-UHFFFAOYSA-N 2 2 333.435 2.906 10 30 EFEELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599371680 479273206 /nfs/dbraw/zinc/27/32/06/479273206.db2.gz FAJWYVJGZXKESC-RBUKOAKNSA-N 2 2 329.488 2.787 10 30 EFEELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599371680 479273214 /nfs/dbraw/zinc/27/32/14/479273214.db2.gz FAJWYVJGZXKESC-RBUKOAKNSA-N 2 2 329.488 2.787 10 30 EFEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000596651801 479372399 /nfs/dbraw/zinc/37/23/99/479372399.db2.gz NXLJERLYOXXBHL-DNMXQMFDSA-N 2 2 331.435 2.952 10 30 EFEELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678053 479387067 /nfs/dbraw/zinc/38/70/67/479387067.db2.gz FZZLHVAHIXTHGT-NRFANRHFSA-N 2 2 349.478 2.604 10 30 EFEELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678053 479387072 /nfs/dbraw/zinc/38/70/72/479387072.db2.gz FZZLHVAHIXTHGT-NRFANRHFSA-N 2 2 349.478 2.604 10 30 EFEELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678053 479387078 /nfs/dbraw/zinc/38/70/78/479387078.db2.gz FZZLHVAHIXTHGT-NRFANRHFSA-N 2 2 349.478 2.604 10 30 EFEELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678053 479387083 /nfs/dbraw/zinc/38/70/83/479387083.db2.gz FZZLHVAHIXTHGT-NRFANRHFSA-N 2 2 349.478 2.604 10 30 EFEELP N#C[C@@H]1CCC[C@H]([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000618572566 479498466 /nfs/dbraw/zinc/49/84/66/479498466.db2.gz ADCCJZDKTXJKRS-AABGKKOBSA-N 2 2 327.472 2.685 10 30 EFEELP N#C[C@@H]1CCC[C@H]([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000618572566 479498475 /nfs/dbraw/zinc/49/84/75/479498475.db2.gz ADCCJZDKTXJKRS-AABGKKOBSA-N 2 2 327.472 2.685 10 30 EFEELP CN(C(=O)CCCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000594003772 479542472 /nfs/dbraw/zinc/54/24/72/479542472.db2.gz VIYGAEMVGUFJQP-RBUKOAKNSA-N 2 2 348.535 2.866 10 30 EFEELP CN(C(=O)CCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000594003772 479542477 /nfs/dbraw/zinc/54/24/77/479542477.db2.gz VIYGAEMVGUFJQP-RBUKOAKNSA-N 2 2 348.535 2.866 10 30 EFEELP N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)CC1 ZINC000597158704 479597836 /nfs/dbraw/zinc/59/78/36/479597836.db2.gz FBEBCUUYSOJUNC-HXUWFJFHSA-N 2 2 339.483 2.928 10 30 EFEELP N#CC1(c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)CC1 ZINC000597158704 479597842 /nfs/dbraw/zinc/59/78/42/479597842.db2.gz FBEBCUUYSOJUNC-HXUWFJFHSA-N 2 2 339.483 2.928 10 30 EFEELP C=C[C@@H]([NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000619702885 479862255 /nfs/dbraw/zinc/86/22/55/479862255.db2.gz ADFAUQINEXHFHP-GOSISDBHSA-N 2 2 330.472 2.996 10 30 EFEELP C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000651332695 481710305 /nfs/dbraw/zinc/71/03/05/481710305.db2.gz GMJSLIIHZNSZAA-GOSISDBHSA-N 2 2 344.503 2.577 10 30 EFEELP C=CC[C@]1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC[NH2+]1 ZINC000662663932 481922880 /nfs/dbraw/zinc/92/28/80/481922880.db2.gz QCTVHZBVWGLJSC-QGZVFWFLSA-N 2 2 334.489 2.766 10 30 EFEELP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796892 481973938 /nfs/dbraw/zinc/97/39/38/481973938.db2.gz CZWSAHAABLRCSV-ZHALLVOQSA-N 2 2 349.425 2.525 10 30 EFEELP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC[NH2+]1 ZINC000662796892 481973941 /nfs/dbraw/zinc/97/39/41/481973941.db2.gz CZWSAHAABLRCSV-ZHALLVOQSA-N 2 2 349.425 2.525 10 30 EFEELP C=CC[C@]1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC[NH2+]1 ZINC000662810917 481980750 /nfs/dbraw/zinc/98/07/50/481980750.db2.gz UEBWIWPXMODTIW-LJQANCHMSA-N 2 2 347.890 2.513 10 30 EFEELP C=CC[C@]1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC[NH2+]1 ZINC000662810917 481980756 /nfs/dbraw/zinc/98/07/56/481980756.db2.gz UEBWIWPXMODTIW-LJQANCHMSA-N 2 2 347.890 2.513 10 30 EFEELP C=CCc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(OC)c1O ZINC000668785699 482262547 /nfs/dbraw/zinc/26/25/47/482262547.db2.gz VJQFHIYIVVFKOI-SFHVURJKSA-N 2 2 348.487 2.672 10 30 EFEELP C=CCc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(OC)c1O ZINC000668785699 482262551 /nfs/dbraw/zinc/26/25/51/482262551.db2.gz VJQFHIYIVVFKOI-SFHVURJKSA-N 2 2 348.487 2.672 10 30 EFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661114727 482332109 /nfs/dbraw/zinc/33/21/09/482332109.db2.gz LARGNEHWZSYGAH-MJGOQNOKSA-N 2 2 345.487 2.648 10 30 EFEELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)[nH+]1 ZINC000195516133 524679225 /nfs/dbraw/zinc/67/92/25/524679225.db2.gz ROCATVWGFRBUSO-KRWDZBQOSA-N 2 2 349.438 2.634 10 30 EFEELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)[nH+]1 ZINC000195516133 524679232 /nfs/dbraw/zinc/67/92/32/524679232.db2.gz ROCATVWGFRBUSO-KRWDZBQOSA-N 2 2 349.438 2.634 10 30 EFEELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)[nH+]1 ZINC000195516134 524685202 /nfs/dbraw/zinc/68/52/02/524685202.db2.gz ROCATVWGFRBUSO-QGZVFWFLSA-N 2 2 349.438 2.634 10 30 EFEELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)[nH+]1 ZINC000195516134 524685215 /nfs/dbraw/zinc/68/52/15/524685215.db2.gz ROCATVWGFRBUSO-QGZVFWFLSA-N 2 2 349.438 2.634 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000181758985 526609541 /nfs/dbraw/zinc/60/95/41/526609541.db2.gz WYCRUPFVLMYZPA-YADHBBJMSA-N 2 2 347.462 2.771 10 30 EFEELP CC(C)Oc1ccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000262026762 534998383 /nfs/dbraw/zinc/99/83/83/534998383.db2.gz ZRAMAEGLOQQZCZ-UHFFFAOYSA-N 2 2 327.432 2.933 10 30 EFEELP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356110975 536778043 /nfs/dbraw/zinc/77/80/43/536778043.db2.gz BRGUKPVMFNXOED-UHFFFAOYSA-N 2 2 336.505 2.585 10 30 EFEELP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356110975 536778049 /nfs/dbraw/zinc/77/80/49/536778049.db2.gz BRGUKPVMFNXOED-UHFFFAOYSA-N 2 2 336.505 2.585 10 30 EFEELP C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457563 550154565 /nfs/dbraw/zinc/15/45/65/550154565.db2.gz DXULPKKKPUGGFY-HXUWFJFHSA-N 2 2 343.515 2.852 10 30 EFEELP C=CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457563 550154567 /nfs/dbraw/zinc/15/45/67/550154567.db2.gz DXULPKKKPUGGFY-HXUWFJFHSA-N 2 2 343.515 2.852 10 30 EFEELP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000755661343 575614696 /nfs/dbraw/zinc/61/46/96/575614696.db2.gz HHPIJXXGFAFURR-RTBURBONSA-N 2 2 328.456 2.710 10 30 EFEELP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000755661343 575614697 /nfs/dbraw/zinc/61/46/97/575614697.db2.gz HHPIJXXGFAFURR-RTBURBONSA-N 2 2 328.456 2.710 10 30 EFEELP C=CCOc1ccc(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000769486462 577366493 /nfs/dbraw/zinc/36/64/93/577366493.db2.gz AHVJAZBLIARNIX-OAHLLOKOSA-N 2 2 331.485 2.860 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691386554 1248721817 /nfs/dbraw/zinc/72/18/17/1248721817.db2.gz XZWPCWYSNQNAJW-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691386554 1248721823 /nfs/dbraw/zinc/72/18/23/1248721823.db2.gz XZWPCWYSNQNAJW-ROUUACIJSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691386555 1248721956 /nfs/dbraw/zinc/72/19/56/1248721956.db2.gz XZWPCWYSNQNAJW-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691386555 1248721967 /nfs/dbraw/zinc/72/19/67/1248721967.db2.gz XZWPCWYSNQNAJW-ZWKOTPCHSA-N 2 2 344.503 2.725 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691500964 1249847803 /nfs/dbraw/zinc/84/78/03/1249847803.db2.gz AGVSWAMXVQRCME-BRWVUGGUSA-N 2 2 344.503 2.601 10 30 EFEELP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001691558356 1251771040 /nfs/dbraw/zinc/77/10/40/1251771040.db2.gz WCFHGMCWOICRGO-QYZOEREBSA-N 2 2 344.503 2.827 10 30 EFEELP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001691558356 1251771052 /nfs/dbraw/zinc/77/10/52/1251771052.db2.gz WCFHGMCWOICRGO-QYZOEREBSA-N 2 2 344.503 2.827 10 30 EFEELP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484104624 1252258301 /nfs/dbraw/zinc/25/83/01/1252258301.db2.gz VLQFMEGMYLRWRV-HXUWFJFHSA-N 2 2 345.487 2.651 10 30 EFEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484337485 1252422349 /nfs/dbraw/zinc/42/23/49/1252422349.db2.gz WUCRWOUDIUEOSY-IAGOWNOFSA-N 2 2 344.503 2.555 10 30 EFEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001484472454 1252696708 /nfs/dbraw/zinc/69/67/08/1252696708.db2.gz PPFHVANNPXVGSE-ZWKOTPCHSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001484472454 1252696718 /nfs/dbraw/zinc/69/67/18/1252696718.db2.gz PPFHVANNPXVGSE-ZWKOTPCHSA-N 2 2 330.476 2.552 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716395 1252792384 /nfs/dbraw/zinc/79/23/84/1252792384.db2.gz JOLHPYNVIOBAIA-WMZOPIPTSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001484716395 1252792386 /nfs/dbraw/zinc/79/23/86/1252792386.db2.gz JOLHPYNVIOBAIA-WMZOPIPTSA-N 2 2 345.487 2.958 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001670936931 1258771883 /nfs/dbraw/zinc/77/18/83/1258771883.db2.gz APPZYJLLXBVULQ-CSNJMZFVSA-N 2 2 342.487 2.523 10 30 EFEELP C=CC[N@@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C1CCCCCC1 ZINC001670976958 1259261238 /nfs/dbraw/zinc/26/12/38/1259261238.db2.gz LAVNAUPNTUCHFO-UHFFFAOYSA-N 2 2 345.487 2.960 10 30 EFEELP C=CC[N@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C1CCCCCC1 ZINC001670976958 1259261248 /nfs/dbraw/zinc/26/12/48/1259261248.db2.gz LAVNAUPNTUCHFO-UHFFFAOYSA-N 2 2 345.487 2.960 10 30 EFEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001670985532 1259318249 /nfs/dbraw/zinc/31/82/49/1259318249.db2.gz UGFMKTQLRMDDBR-UHFFFAOYSA-N 2 2 344.503 2.816 10 30 EFEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001670985532 1259318257 /nfs/dbraw/zinc/31/82/57/1259318257.db2.gz UGFMKTQLRMDDBR-UHFFFAOYSA-N 2 2 344.503 2.816 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001486515308 1263299325 /nfs/dbraw/zinc/29/93/25/1263299325.db2.gz GOIIUSTXPLITRO-KBAYOESNSA-N 2 2 342.487 2.627 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001486515308 1263299333 /nfs/dbraw/zinc/29/93/33/1263299333.db2.gz GOIIUSTXPLITRO-KBAYOESNSA-N 2 2 342.487 2.627 10 30 EFEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)CC2)cc1 ZINC000922718209 1266650247 /nfs/dbraw/zinc/65/02/47/1266650247.db2.gz SQASQJZCNNYZJJ-ZVDOUQERSA-N 2 2 337.467 2.703 10 30 EFEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000739858712 1268765452 /nfs/dbraw/zinc/76/54/52/1268765452.db2.gz PRDRZAHOMKNWQB-SFHVURJKSA-N 2 2 347.426 2.616 10 30 EFEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000739858712 1268765459 /nfs/dbraw/zinc/76/54/59/1268765459.db2.gz PRDRZAHOMKNWQB-SFHVURJKSA-N 2 2 347.426 2.616 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001671059026 1269661165 /nfs/dbraw/zinc/66/11/65/1269661165.db2.gz AGASCNDSLIVBIF-QGZVFWFLSA-N 2 2 330.476 2.552 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001411202198 1271907271 /nfs/dbraw/zinc/90/72/71/1271907271.db2.gz VDTDIYZNHYAZLF-HOTGVXAUSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001411202198 1271907287 /nfs/dbraw/zinc/90/72/87/1271907287.db2.gz VDTDIYZNHYAZLF-HOTGVXAUSA-N 2 2 329.916 2.781 10 30 EFEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000818224711 1276494743 /nfs/dbraw/zinc/49/47/43/1276494743.db2.gz OVHUHNGPKUZTRX-JXFKEZNVSA-N 2 2 329.488 2.902 10 30 EFEELP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccc(F)cc2)cc1 ZINC000747838875 1285673626 /nfs/dbraw/zinc/67/36/26/1285673626.db2.gz PTCQLGSIYGYSFR-UHFFFAOYSA-N 2 2 331.391 2.603 10 30 EFEELP N#CCSCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176495125 1288004304 /nfs/dbraw/zinc/00/43/04/1288004304.db2.gz GBKNSZDNILUIAK-UHFFFAOYSA-N 2 2 347.528 2.858 10 30 EFEELP N#CCSCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176495125 1288004312 /nfs/dbraw/zinc/00/43/12/1288004312.db2.gz GBKNSZDNILUIAK-UHFFFAOYSA-N 2 2 347.528 2.858 10 30 EFEELP N#CCSCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001176495125 1288004321 /nfs/dbraw/zinc/00/43/21/1288004321.db2.gz GBKNSZDNILUIAK-UHFFFAOYSA-N 2 2 347.528 2.858 10 30 EFEELP N#CCSCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001176495125 1288004330 /nfs/dbraw/zinc/00/43/30/1288004330.db2.gz GBKNSZDNILUIAK-UHFFFAOYSA-N 2 2 347.528 2.858 10 30 EFEELP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873227592 1289659677 /nfs/dbraw/zinc/65/96/77/1289659677.db2.gz LTIAWYMEORNOFI-UONOGXRCSA-N 2 2 344.377 2.829 10 30 EFEELP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873227592 1289659687 /nfs/dbraw/zinc/65/96/87/1289659687.db2.gz LTIAWYMEORNOFI-UONOGXRCSA-N 2 2 344.377 2.829 10 30 EFEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000876710433 1290985982 /nfs/dbraw/zinc/98/59/82/1290985982.db2.gz KKVMPKRJBHNRQS-LBPRGKRZSA-N 2 2 328.869 2.537 10 30 EFEELP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001276312900 1292724062 /nfs/dbraw/zinc/72/40/62/1292724062.db2.gz VYNCBSGOAVCWDB-RBUKOAKNSA-N 2 2 344.503 2.854 10 30 EFEELP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001276312900 1292724072 /nfs/dbraw/zinc/72/40/72/1292724072.db2.gz VYNCBSGOAVCWDB-RBUKOAKNSA-N 2 2 344.503 2.854 10 30 EFEELP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001273763408 1294953921 /nfs/dbraw/zinc/95/39/21/1294953921.db2.gz VDGSUVTUNUDPCB-SFHVURJKSA-N 2 2 344.503 2.854 10 30 EFEELP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001277883263 1313186815 /nfs/dbraw/zinc/18/68/15/1313186815.db2.gz DWTBYZIBRNYAGN-MSOLQXFVSA-N 2 2 346.519 2.997 10 30 EFEELP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001276225609 1296663425 /nfs/dbraw/zinc/66/34/25/1296663425.db2.gz BVRBXUSMIQSKTD-IAGOWNOFSA-N 2 2 344.503 2.899 10 30 EFEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001488956351 1297904948 /nfs/dbraw/zinc/90/49/48/1297904948.db2.gz XEUKLVLQKRITBY-DLBZAZTESA-N 2 2 340.471 2.636 10 30 EFEELP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001489084941 1298016318 /nfs/dbraw/zinc/01/63/18/1298016318.db2.gz JQJMMIKCDKHWPM-NZSAHSFTSA-N 2 2 344.503 2.845 10 30 EFEELP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001489084941 1298016328 /nfs/dbraw/zinc/01/63/28/1298016328.db2.gz JQJMMIKCDKHWPM-NZSAHSFTSA-N 2 2 344.503 2.845 10 30 EFEELP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903974623 1313521013 /nfs/dbraw/zinc/52/10/13/1313521013.db2.gz SBMUFBIDFUHRAL-QGZVFWFLSA-N 2 2 346.471 2.508 10 30 EFEELP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001490617058 1299045361 /nfs/dbraw/zinc/04/53/61/1299045361.db2.gz IWLAGLXCAQNMPT-KRWDZBQOSA-N 2 2 344.503 2.725 10 30 EFEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001490691386 1299145021 /nfs/dbraw/zinc/14/50/21/1299145021.db2.gz JIZOZOUPJWEENH-IBGZPJMESA-N 2 2 338.455 2.937 10 30 EFEELP C=C(C)CCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000795208463 1300268568 /nfs/dbraw/zinc/26/85/68/1300268568.db2.gz GRDUABMSLICBOY-UHFFFAOYSA-N 2 2 330.476 2.659 10 30 EFEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001490804956 1303955201 /nfs/dbraw/zinc/95/52/01/1303955201.db2.gz FFIQKBFEIHABMD-OKZBNKHCSA-N 2 2 330.476 2.693 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001490804956 1303955213 /nfs/dbraw/zinc/95/52/13/1303955213.db2.gz FFIQKBFEIHABMD-OKZBNKHCSA-N 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C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(C#N)ccn1 ZINC000902754313 1312078508 /nfs/dbraw/zinc/07/85/08/1312078508.db2.gz ZQRMEAHPCLKZSY-MRXNPFEDSA-N 2 2 336.439 2.636 10 30 EFEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001277388258 1312097919 /nfs/dbraw/zinc/09/79/19/1312097919.db2.gz IZMRDSBVVYZROZ-UHFFFAOYSA-N 2 2 338.455 2.837 10 30 EFEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001277388258 1312097923 /nfs/dbraw/zinc/09/79/23/1312097923.db2.gz IZMRDSBVVYZROZ-UHFFFAOYSA-N 2 2 338.455 2.837 10 30 EFEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806032 1312122573 /nfs/dbraw/zinc/12/25/73/1312122573.db2.gz HZXOSTKFGZTQAL-BQFCYCMXSA-N 2 2 330.476 2.741 10 30 EFEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806032 1312122576 /nfs/dbraw/zinc/12/25/76/1312122576.db2.gz HZXOSTKFGZTQAL-BQFCYCMXSA-N 2 2 330.476 2.741 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 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VRFPEYBBGUDYIP-KRWDZBQOSA-N 2 2 326.444 2.792 10 30 EFEELP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001263802196 1316562700 /nfs/dbraw/zinc/56/27/00/1316562700.db2.gz LGOADRHXAZEXPA-MJGOQNOKSA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001263802196 1316562701 /nfs/dbraw/zinc/56/27/01/1316562701.db2.gz LGOADRHXAZEXPA-MJGOQNOKSA-N 2 2 346.519 2.949 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264196728 1316600340 /nfs/dbraw/zinc/60/03/40/1316600340.db2.gz JXNFVUXDLCPJJD-CVEARBPZSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264196728 1316600343 /nfs/dbraw/zinc/60/03/43/1316600343.db2.gz JXNFVUXDLCPJJD-CVEARBPZSA-N 2 2 332.492 2.771 10 30 EFEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264196728 1316600346 /nfs/dbraw/zinc/60/03/46/1316600346.db2.gz JXNFVUXDLCPJJD-CVEARBPZSA-N 2 2 332.492 2.771 10 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C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001264683982 1316655608 /nfs/dbraw/zinc/65/56/08/1316655608.db2.gz PKJALLYGUJVAOI-DLBZAZTESA-N 2 2 332.492 2.678 10 30 EFEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265082666 1316714546 /nfs/dbraw/zinc/71/45/46/1316714546.db2.gz DMMJIBASHHZQCQ-AEFFLSMTSA-N 2 2 344.503 2.697 10 30 EFEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265390723 1316795779 /nfs/dbraw/zinc/79/57/79/1316795779.db2.gz LUHCORDRITVYEB-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265390723 1316795781 /nfs/dbraw/zinc/79/57/81/1316795781.db2.gz LUHCORDRITVYEB-ZWKOTPCHSA-N 2 2 344.503 2.582 10 30 EFEELP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266055726 1316982336 /nfs/dbraw/zinc/98/23/36/1316982336.db2.gz IWTPJEJXALKEKF-IRXDYDNUSA-N 2 2 344.503 2.745 10 30 EFEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279137507 1317196194 /nfs/dbraw/zinc/19/61/94/1317196194.db2.gz VLLFACMCKLMQAR-FUHWJXTLSA-N 2 2 344.503 2.628 10 30 EFEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001280138844 1317462070 /nfs/dbraw/zinc/46/20/70/1317462070.db2.gz AUBFBWVKAJDIJG-QGZVFWFLSA-N 2 2 338.455 2.890 10 30 EFEELP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001318802712 1328704978 /nfs/dbraw/zinc/70/49/78/1328704978.db2.gz CBIBHLBYFXFRNU-ROUUACIJSA-N 2 2 344.503 2.630 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001318976313 1328754176 /nfs/dbraw/zinc/75/41/76/1328754176.db2.gz LODAJDOJQFYURN-QBPKDAKJSA-N 2 2 332.492 2.960 10 30 EFEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001318976313 1328754180 /nfs/dbraw/zinc/75/41/80/1328754180.db2.gz LODAJDOJQFYURN-QBPKDAKJSA-N 2 2 332.492 2.960 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001281554272 1318445485 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TYNYWEKOOZYIRE-KRWDZBQOSA-N 2 2 331.460 2.570 10 30 EFEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001492158960 1324287976 /nfs/dbraw/zinc/28/79/76/1324287976.db2.gz TYNYWEKOOZYIRE-KRWDZBQOSA-N 2 2 331.460 2.570 10 30 EFEELP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316769209 1325122404 /nfs/dbraw/zinc/12/24/04/1325122404.db2.gz HAUXACDWJMJPFX-GOSISDBHSA-N 2 2 338.455 2.640 10 30 EFEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001316877943 1325250361 /nfs/dbraw/zinc/25/03/61/1325250361.db2.gz LCLZHVUGSYBFJU-IRXDYDNUSA-N 2 2 332.492 2.678 10 30 EFEELP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001316933275 1325381296 /nfs/dbraw/zinc/38/12/96/1325381296.db2.gz FWKHGPQNCYRNKF-IRXDYDNUSA-N 2 2 344.503 2.723 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001316934504 1325383672 /nfs/dbraw/zinc/38/36/72/1325383672.db2.gz QEFQKSZXHBYNBA-IAGOWNOFSA-N 2 2 344.503 2.723 10 30 EFEELP 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C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323859787 1329580326 /nfs/dbraw/zinc/58/03/26/1329580326.db2.gz YFNCAXJTDKQSEO-QUCCMNQESA-N 2 2 344.503 2.971 10 30 EFEELP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323859787 1329580328 /nfs/dbraw/zinc/58/03/28/1329580328.db2.gz YFNCAXJTDKQSEO-QUCCMNQESA-N 2 2 344.503 2.971 10 30 EFEELP C#CCC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001324470378 1329630797 /nfs/dbraw/zinc/63/07/97/1329630797.db2.gz RDMVTUWTROJJCI-SFHVURJKSA-N 2 2 338.455 2.544 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001324943840 1329661647 /nfs/dbraw/zinc/66/16/47/1329661647.db2.gz NAYJZECDROQGOB-GPMSIDNRSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001324943840 1329661649 /nfs/dbraw/zinc/66/16/49/1329661649.db2.gz NAYJZECDROQGOB-GPMSIDNRSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001324943840 1329661651 /nfs/dbraw/zinc/66/16/51/1329661651.db2.gz NAYJZECDROQGOB-GPMSIDNRSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001324943840 1329661652 /nfs/dbraw/zinc/66/16/52/1329661652.db2.gz NAYJZECDROQGOB-GPMSIDNRSA-N 2 2 330.476 2.698 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001324948333 1329662148 /nfs/dbraw/zinc/66/21/48/1329662148.db2.gz RMTSHDWOPVOGHR-FXAWDEMLSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001324948333 1329662150 /nfs/dbraw/zinc/66/21/50/1329662150.db2.gz RMTSHDWOPVOGHR-FXAWDEMLSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001324948335 1329662373 /nfs/dbraw/zinc/66/23/73/1329662373.db2.gz RMTSHDWOPVOGHR-XLIONFOSSA-N 2 2 346.519 2.926 10 30 EFEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001324948335 1329662375 /nfs/dbraw/zinc/66/23/75/1329662375.db2.gz RMTSHDWOPVOGHR-XLIONFOSSA-N 2 2 346.519 2.926 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001325507655 1329692969 /nfs/dbraw/zinc/69/29/69/1329692969.db2.gz FAUOHKZOTUEMHB-MAUKXSAKSA-N 2 2 340.471 2.907 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001325655979 1329704131 /nfs/dbraw/zinc/70/41/31/1329704131.db2.gz IOHQMCYHXRWKDG-BRSBDYLESA-N 2 2 344.503 2.992 10 30 EFEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001325655979 1329704133 /nfs/dbraw/zinc/70/41/33/1329704133.db2.gz IOHQMCYHXRWKDG-BRSBDYLESA-N 2 2 344.503 2.992 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001325666316 1329705109 /nfs/dbraw/zinc/70/51/09/1329705109.db2.gz VPFGUPCVXPSVAZ-BRWVUGGUSA-N 2 2 332.492 2.677 10 30 EFEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001325666316 1329705111 /nfs/dbraw/zinc/70/51/11/1329705111.db2.gz VPFGUPCVXPSVAZ-BRWVUGGUSA-N 2 2 332.492 2.677 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001327532798 1330496294 /nfs/dbraw/zinc/49/62/94/1330496294.db2.gz ZVNDPQWJPYUCIU-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001327532798 1330496295 /nfs/dbraw/zinc/49/62/95/1330496295.db2.gz ZVNDPQWJPYUCIU-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001327532798 1330496297 /nfs/dbraw/zinc/49/62/97/1330496297.db2.gz ZVNDPQWJPYUCIU-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001327532798 1330496299 /nfs/dbraw/zinc/49/62/99/1330496299.db2.gz ZVNDPQWJPYUCIU-MBOZVWFJSA-N 2 2 342.487 2.794 10 30 EFEELP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001328588148 1330605510 /nfs/dbraw/zinc/60/55/10/1330605510.db2.gz RVHIGLSCIJXHIK-MRXNPFEDSA-N 2 2 332.492 2.867 10 30 EFEELP C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001328588148 1330605513 /nfs/dbraw/zinc/60/55/13/1330605513.db2.gz RVHIGLSCIJXHIK-MRXNPFEDSA-N 2 2 332.492 2.867 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001332114145 1330922886 /nfs/dbraw/zinc/92/28/86/1330922886.db2.gz VJUFKQQETBSSCS-VDZJLULYSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001332114145 1330922887 /nfs/dbraw/zinc/92/28/87/1330922887.db2.gz VJUFKQQETBSSCS-VDZJLULYSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001332114145 1330922888 /nfs/dbraw/zinc/92/28/88/1330922888.db2.gz VJUFKQQETBSSCS-VDZJLULYSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001332114145 1330922890 /nfs/dbraw/zinc/92/28/90/1330922890.db2.gz VJUFKQQETBSSCS-VDZJLULYSA-N 2 2 330.476 2.668 10 30 EFEELP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332215884 1330942416 /nfs/dbraw/zinc/94/24/16/1330942416.db2.gz BUIFQNXDQAKOOA-SJORKVTESA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332215884 1330942418 /nfs/dbraw/zinc/94/24/18/1330942418.db2.gz BUIFQNXDQAKOOA-SJORKVTESA-N 2 2 341.927 2.974 10 30 EFEELP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001332295684 1330954456 /nfs/dbraw/zinc/95/44/56/1330954456.db2.gz ZVOHLKHUXWVJPL-AEFFLSMTSA-N 2 2 338.455 2.937 10 30 EFEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(F)c1 ZINC001333473094 1331152129 /nfs/dbraw/zinc/15/21/29/1331152129.db2.gz KLDPQRXCMIBTFZ-HZPDHXFCSA-N 2 2 342.418 2.634 10 30 EFEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(F)c1 ZINC001333473094 1331152134 /nfs/dbraw/zinc/15/21/34/1331152134.db2.gz KLDPQRXCMIBTFZ-HZPDHXFCSA-N 2 2 342.418 2.634 10 30 EFEELP COc1ccc(O)c(/C=[NH+]/CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000849170502 1335563034 /nfs/dbraw/zinc/56/30/34/1335563034.db2.gz QEZFKHVEHMIYOT-XSFVSMFZSA-N 2 2 332.444 2.711 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001367008751 1338264423 /nfs/dbraw/zinc/26/44/23/1338264423.db2.gz YAQZZHUOWIUYNI-AWEZNQCLSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001367008751 1338264428 /nfs/dbraw/zinc/26/44/28/1338264428.db2.gz YAQZZHUOWIUYNI-AWEZNQCLSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001367008751 1338264410 /nfs/dbraw/zinc/26/44/10/1338264410.db2.gz YAQZZHUOWIUYNI-AWEZNQCLSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001367008751 1338264417 /nfs/dbraw/zinc/26/44/17/1338264417.db2.gz YAQZZHUOWIUYNI-AWEZNQCLSA-N 2 2 327.900 2.582 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001373665090 1341089774 /nfs/dbraw/zinc/08/97/74/1341089774.db2.gz CDUNFMZYEWOIBT-INIZCTEOSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001373665090 1341089776 /nfs/dbraw/zinc/08/97/76/1341089776.db2.gz CDUNFMZYEWOIBT-INIZCTEOSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001373665090 1341089778 /nfs/dbraw/zinc/08/97/78/1341089778.db2.gz CDUNFMZYEWOIBT-INIZCTEOSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001373665090 1341089779 /nfs/dbraw/zinc/08/97/79/1341089779.db2.gz CDUNFMZYEWOIBT-INIZCTEOSA-N 2 2 341.927 2.925 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001373712050 1341116549 /nfs/dbraw/zinc/11/65/49/1341116549.db2.gz HKUOLHUTPPHGIS-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001373712050 1341116550 /nfs/dbraw/zinc/11/65/50/1341116550.db2.gz HKUOLHUTPPHGIS-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001373712050 1341116551 /nfs/dbraw/zinc/11/65/51/1341116551.db2.gz HKUOLHUTPPHGIS-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001373712050 1341116552 /nfs/dbraw/zinc/11/65/52/1341116552.db2.gz HKUOLHUTPPHGIS-HOTGVXAUSA-N 2 2 327.900 2.536 10 30 EFEELP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001374386107 1341837433 /nfs/dbraw/zinc/83/74/33/1341837433.db2.gz BVKNPTCXSBKKDS-KGLIPLIRSA-N 2 2 338.883 2.657 10 30 EFEELP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001380780262 1347870691 /nfs/dbraw/zinc/87/06/91/1347870691.db2.gz VEMPEAHTRALULS-UHFFFAOYSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001380780262 1347870696 /nfs/dbraw/zinc/87/06/96/1347870696.db2.gz VEMPEAHTRALULS-UHFFFAOYSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC001380780262 1347870703 /nfs/dbraw/zinc/87/07/03/1347870703.db2.gz VEMPEAHTRALULS-UHFFFAOYSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001380780262 1347870705 /nfs/dbraw/zinc/87/07/05/1347870705.db2.gz VEMPEAHTRALULS-UHFFFAOYSA-N 2 2 349.906 2.971 10 30 EFEELP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381754593 1348502660 /nfs/dbraw/zinc/50/26/60/1348502660.db2.gz AVFOZCPOZAPKDI-INIZCTEOSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381754593 1348502662 /nfs/dbraw/zinc/50/26/62/1348502662.db2.gz AVFOZCPOZAPKDI-INIZCTEOSA-N 2 2 341.927 2.974 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279192 1357662360 /nfs/dbraw/zinc/66/23/60/1357662360.db2.gz JQCKVKMLQFWJGB-CVEARBPZSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279192 1357662365 /nfs/dbraw/zinc/66/23/65/1357662365.db2.gz JQCKVKMLQFWJGB-CVEARBPZSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279197 1357662846 /nfs/dbraw/zinc/66/28/46/1357662846.db2.gz JQCKVKMLQFWJGB-HZPDHXFCSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394279197 1357662851 /nfs/dbraw/zinc/66/28/51/1357662851.db2.gz JQCKVKMLQFWJGB-HZPDHXFCSA-N 2 2 341.927 2.686 10 30 EFEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001394799136 1358083368 /nfs/dbraw/zinc/08/33/68/1358083368.db2.gz UXGIHYIRASLSBI-MRXNPFEDSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001394799136 1358083370 /nfs/dbraw/zinc/08/33/70/1358083370.db2.gz UXGIHYIRASLSBI-MRXNPFEDSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001394799136 1358083374 /nfs/dbraw/zinc/08/33/74/1358083374.db2.gz UXGIHYIRASLSBI-MRXNPFEDSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001394799136 1358083378 /nfs/dbraw/zinc/08/33/78/1358083378.db2.gz UXGIHYIRASLSBI-MRXNPFEDSA-N 2 2 329.916 2.781 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001397793473 1360142096 /nfs/dbraw/zinc/14/20/96/1360142096.db2.gz XHVFPFNWUBBMHS-IXDOHACOSA-N 2 2 341.927 2.828 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001397793473 1360142102 /nfs/dbraw/zinc/14/21/02/1360142102.db2.gz XHVFPFNWUBBMHS-IXDOHACOSA-N 2 2 341.927 2.828 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001397798804 1360147990 /nfs/dbraw/zinc/14/79/90/1360147990.db2.gz YHTVIZKPAKCXQL-ZBFHGGJFSA-N 2 2 341.927 2.971 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001397798804 1360147994 /nfs/dbraw/zinc/14/79/94/1360147994.db2.gz YHTVIZKPAKCXQL-ZBFHGGJFSA-N 2 2 341.927 2.971 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001397798804 1360147996 /nfs/dbraw/zinc/14/79/96/1360147996.db2.gz YHTVIZKPAKCXQL-ZBFHGGJFSA-N 2 2 341.927 2.971 10 30 EFEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001397798804 1360147997 /nfs/dbraw/zinc/14/79/97/1360147997.db2.gz YHTVIZKPAKCXQL-ZBFHGGJFSA-N 2 2 341.927 2.971 10 30 EFEELP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001400765290 1362150930 /nfs/dbraw/zinc/15/09/30/1362150930.db2.gz KCPQGJCNWGSUNI-HOTGVXAUSA-N 2 2 329.916 2.782 10 30 EFEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001400765290 1362150931 /nfs/dbraw/zinc/15/09/31/1362150931.db2.gz KCPQGJCNWGSUNI-HOTGVXAUSA-N 2 2 329.916 2.782 10 30 EFEELP 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EFEELP CC#CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001716713497 1418969390 /nfs/dbraw/zinc/96/93/90/1418969390.db2.gz LGKIKWUIGJXSEG-QGZVFWFLSA-N 2 2 344.503 2.753 10 30 EFEELP CC#CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001716713497 1418969398 /nfs/dbraw/zinc/96/93/98/1418969398.db2.gz LGKIKWUIGJXSEG-QGZVFWFLSA-N 2 2 344.503 2.753 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC/C=C\CC ZINC001716718484 1418971152 /nfs/dbraw/zinc/97/11/52/1418971152.db2.gz ILOALGMPDGLSAS-QSAAVLFXSA-N 2 2 343.515 2.506 10 30 EFEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC/C=C\CC ZINC001716718484 1418971155 /nfs/dbraw/zinc/97/11/55/1418971155.db2.gz ILOALGMPDGLSAS-QSAAVLFXSA-N 2 2 343.515 2.506 10 30 EFEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC/C=C\CC ZINC001716718484 1418971157 /nfs/dbraw/zinc/97/11/57/1418971157.db2.gz ILOALGMPDGLSAS-QSAAVLFXSA-N 2 2 343.515 2.506 10 30 EFEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC/C=C\CC ZINC001716718484 1418971160 /nfs/dbraw/zinc/97/11/60/1418971160.db2.gz ILOALGMPDGLSAS-QSAAVLFXSA-N 2 2 343.515 2.506 10 30 EFEELP C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001716818501 1419029859 /nfs/dbraw/zinc/02/98/59/1419029859.db2.gz FCJZVCLXQNDVHA-QGZVFWFLSA-N 2 2 332.492 2.767 10 30 EFEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716896332 1419082452 /nfs/dbraw/zinc/08/24/52/1419082452.db2.gz SYXIWZFBPDPCIE-IBGZPJMESA-N 2 2 326.444 2.971 10 30 EFEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716896332 1419082456 /nfs/dbraw/zinc/08/24/56/1419082456.db2.gz SYXIWZFBPDPCIE-IBGZPJMESA-N 2 2 326.444 2.971 10 30 EFEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001716966359 1419114495 /nfs/dbraw/zinc/11/44/95/1419114495.db2.gz OWAWYWNKFKEHBS-AEFFLSMTSA-N 2 2 338.455 2.889 10 30 EFEELP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001716999592 1419136014 /nfs/dbraw/zinc/13/60/14/1419136014.db2.gz KIXGOIKHHUDTNU-DKKFBQAASA-N 2 2 344.503 2.914 10 30 EFEELP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001716999592 1419136019 /nfs/dbraw/zinc/13/60/19/1419136019.db2.gz KIXGOIKHHUDTNU-DKKFBQAASA-N 2 2 344.503 2.914 10 30 EFEELP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001716999592 1419136022 /nfs/dbraw/zinc/13/60/22/1419136022.db2.gz KIXGOIKHHUDTNU-DKKFBQAASA-N 2 2 344.503 2.914 10 30 EFEELP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001716999592 1419136026 /nfs/dbraw/zinc/13/60/26/1419136026.db2.gz KIXGOIKHHUDTNU-DKKFBQAASA-N 2 2 344.503 2.914 10 30 EFEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001717013842 1419148615 /nfs/dbraw/zinc/14/86/15/1419148615.db2.gz VBFNIZVBMFAONF-KURKYZTESA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001717013842 1419148616 /nfs/dbraw/zinc/14/86/16/1419148616.db2.gz VBFNIZVBMFAONF-KURKYZTESA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001717013842 1419148617 /nfs/dbraw/zinc/14/86/17/1419148617.db2.gz VBFNIZVBMFAONF-KURKYZTESA-N 2 2 346.519 2.949 10 30 EFEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001717013842 1419148618 /nfs/dbraw/zinc/14/86/18/1419148618.db2.gz VBFNIZVBMFAONF-KURKYZTESA-N 2 2 346.519 2.949 10 30 EFEELP C=C(C)CC[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCC1 ZINC001717159886 1419243137 /nfs/dbraw/zinc/24/31/37/1419243137.db2.gz ZLARLIDTMNRMOI-UHFFFAOYSA-N 2 2 340.471 2.780 10 30 EFEELP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2C1 ZINC001717270250 1419299589 /nfs/dbraw/zinc/29/95/89/1419299589.db2.gz RHXLUAMZRYNQJX-UHFFFAOYSA-N 2 2 338.455 2.941 10 30 EFEELP C=CCCC[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2C1 ZINC001717270250 1419299590 /nfs/dbraw/zinc/29/95/90/1419299590.db2.gz RHXLUAMZRYNQJX-UHFFFAOYSA-N 2 2 338.455 2.941 10 30 EFEELP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2C1 ZINC001717270250 1419299592 /nfs/dbraw/zinc/29/95/92/1419299592.db2.gz RHXLUAMZRYNQJX-UHFFFAOYSA-N 2 2 338.455 2.941 10 30 EFEELP C=CCCC[N@H+]1Cc2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2C1 ZINC001717270250 1419299594 /nfs/dbraw/zinc/29/95/94/1419299594.db2.gz RHXLUAMZRYNQJX-UHFFFAOYSA-N 2 2 338.455 2.941 10 30 EFEELP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582388 1419454159 /nfs/dbraw/zinc/45/41/59/1419454159.db2.gz IEAFVKVGQLTQLO-DLBZAZTESA-N 2 2 332.492 2.873 10 30 EFEELP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582388 1419454161 /nfs/dbraw/zinc/45/41/61/1419454161.db2.gz IEAFVKVGQLTQLO-DLBZAZTESA-N 2 2 332.492 2.873 10 30 EFEELP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717582389 1419454231 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OXQXXQQKXCBXJF-YQVWRLOYSA-N 2 2 330.476 2.741 10 30 EFEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001717875920 1419597723 /nfs/dbraw/zinc/59/77/23/1419597723.db2.gz WPYDYNRQAAEVOF-IAGOWNOFSA-N 2 2 332.492 2.767 10 30 EFEELP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001717993708 1419647384 /nfs/dbraw/zinc/64/73/84/1419647384.db2.gz BINMFSJGQCKJNW-AOCRQIFASA-N 2 2 344.503 2.771 10 30 EFEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001723615745 1424536647 /nfs/dbraw/zinc/53/66/47/1424536647.db2.gz WJGAXPGPRIFKJD-CSNJMZFVSA-N 2 2 342.487 2.523 10 30 EFEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001723646850 1424545024 /nfs/dbraw/zinc/54/50/24/1424545024.db2.gz CEMQFWNJRWVSRB-UHFFFAOYSA-N 2 2 343.471 2.522 10 30 EFEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001723646850 1424545033 /nfs/dbraw/zinc/54/50/33/1424545033.db2.gz CEMQFWNJRWVSRB-UHFFFAOYSA-N 2 2 343.471 2.522 10 30 EFEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721178 1424568088 /nfs/dbraw/zinc/56/80/88/1424568088.db2.gz JNVCTAQSSMVZCV-HKUYNNGSSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001723721178 1424568091 /nfs/dbraw/zinc/56/80/91/1424568091.db2.gz JNVCTAQSSMVZCV-HKUYNNGSSA-N 2 2 330.476 2.725 10 30 EFEELP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001724005115 1424621392 /nfs/dbraw/zinc/62/13/92/1424621392.db2.gz MWEGEXYFMJJRMT-MRXNPFEDSA-N 2 2 345.487 2.958 10 30 EFEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001724058115 1424639339 /nfs/dbraw/zinc/63/93/39/1424639339.db2.gz HOIXOQKEBQMCIL-QGZVFWFLSA-N 2 2 344.503 2.561 10 30 EFEELP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001724061063 1424641775 /nfs/dbraw/zinc/64/17/75/1424641775.db2.gz JFURXUMBPBQWKQ-MRXNPFEDSA-N 2 2 342.487 2.542 10 30 EFEELP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001724163917 1424685140 /nfs/dbraw/zinc/68/51/40/1424685140.db2.gz WRDFTISDIOMTBW-XLIONFOSSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001724163917 1424685146 /nfs/dbraw/zinc/68/51/46/1424685146.db2.gz WRDFTISDIOMTBW-XLIONFOSSA-N 2 2 344.503 2.773 10 30 EFEELP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001724508900 1424775367 /nfs/dbraw/zinc/77/53/67/1424775367.db2.gz QNQQZODDMJNZAU-IBGZPJMESA-N 2 2 344.503 2.800 10 30 EFEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724705280 1424923303 /nfs/dbraw/zinc/92/33/03/1424923303.db2.gz CQPXFUGFRALGFA-OAHLLOKOSA-N 2 2 346.862 2.837 10 30 EFEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001724883271 1425097378 /nfs/dbraw/zinc/09/73/78/1425097378.db2.gz GYDIWUZGBGSYMP-KRWDZBQOSA-N 2 2 344.503 2.773 10 30 EFEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001724887315 1425102080 /nfs/dbraw/zinc/10/20/80/1425102080.db2.gz 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ZINC001725215044 1425384233 /nfs/dbraw/zinc/38/42/33/1425384233.db2.gz OWWJYFPXEXWXNV-SFHVURJKSA-N 2 2 342.487 2.834 10 30 EFEELP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001725238497 1425403580 /nfs/dbraw/zinc/40/35/80/1425403580.db2.gz TZLLPFONYHGXRW-GOSISDBHSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001725238497 1425403586 /nfs/dbraw/zinc/40/35/86/1425403586.db2.gz TZLLPFONYHGXRW-GOSISDBHSA-N 2 2 344.503 2.699 10 30 EFEELP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001725254264 1425417812 /nfs/dbraw/zinc/41/78/12/1425417812.db2.gz LEHGWOUTDLOJJU-HOTGVXAUSA-N 2 2 332.492 2.718 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001725345393 1425493371 /nfs/dbraw/zinc/49/33/71/1425493371.db2.gz MHNSQBLDUGIGDG-IRXDYDNUSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001725345393 1425493372 /nfs/dbraw/zinc/49/33/72/1425493372.db2.gz MHNSQBLDUGIGDG-IRXDYDNUSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345393 1425493373 /nfs/dbraw/zinc/49/33/73/1425493373.db2.gz MHNSQBLDUGIGDG-IRXDYDNUSA-N 2 2 344.503 2.867 10 30 EFEELP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725345393 1425493375 /nfs/dbraw/zinc/49/33/75/1425493375.db2.gz MHNSQBLDUGIGDG-IRXDYDNUSA-N 2 2 344.503 2.867 10 30 EFEELP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001725604511 1425693149 /nfs/dbraw/zinc/69/31/49/1425693149.db2.gz RIUBNCVVBIQMCA-IAGOWNOFSA-N 2 2 340.471 2.730 10 30 EFEELP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001725606003 1425694411 /nfs/dbraw/zinc/69/44/11/1425694411.db2.gz FOFMUOUVJNWKBF-JENIJYKNSA-N 2 2 330.476 2.770 10 30 EFEELP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001725606003 1425694415 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IDIMTHYADRNINJ-APWZRJJASA-N 2 2 344.503 2.578 10 30 EFEELP C=CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000917070506 727764086 /nfs/dbraw/zinc/76/40/86/727764086.db2.gz CUHIEOBCVRKQRZ-GOSISDBHSA-N 2 2 329.488 2.788 10 30 EFEELP C=CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000917070506 727764088 /nfs/dbraw/zinc/76/40/88/727764088.db2.gz CUHIEOBCVRKQRZ-GOSISDBHSA-N 2 2 329.488 2.788 10 30 EFEELP COc1ccc(O)c(/C=N\CC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000173014056 728614590 /nfs/dbraw/zinc/61/45/90/728614590.db2.gz MUCAIBYJLGRQSX-QNGOZBTKSA-N 2 2 345.487 2.770 10 30 EFEELP