smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1cncn1 ZINC000011934375 204363254 /nfs/dbraw/zinc/36/32/54/204363254.db2.gz FWGMOVONTIUKGL-IBGZPJMESA-N 2 1 392.548 0.949 50 0 GCAAMP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CC[NH+](C)CC4)cc3)nn2)C[NH2+]1 ZINC000067756415 205259139 /nfs/dbraw/zinc/25/91/39/205259139.db2.gz RWIUBLIVEABZQM-ROUUACIJSA-N 2 1 383.500 0.342 50 0 GCAAMP CNc1cc([C@H]2C[C@@H](NC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)C2)[nH+]c(N)n1 ZINC000252481527 206138834 /nfs/dbraw/zinc/13/88/34/206138834.db2.gz CNMXQXOVJIKZAN-KVVVAFMNSA-N 2 1 385.476 0.810 50 0 GCAAMP CC(C)[N@@H+](C)CC(=O)N1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000096132565 211303904 /nfs/dbraw/zinc/30/39/04/211303904.db2.gz JDTCMNJQBLISDO-UHFFFAOYSA-N 2 1 391.564 0.609 50 0 GCAAMP CCOCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071661602 211051361 /nfs/dbraw/zinc/05/13/61/211051361.db2.gz DDNCNZOHYLHYHW-GOSISDBHSA-N 2 1 394.560 0.890 50 0 GCAAMP CCOCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071661602 211051365 /nfs/dbraw/zinc/05/13/65/211051365.db2.gz DDNCNZOHYLHYHW-GOSISDBHSA-N 2 1 394.560 0.890 50 0 GCAAMP C[NH+]1CCN(c2cc(N3CCC([NH+]4CCC(O)CC4)CC3)nc(N)n2)CC1 ZINC000095511262 536420520 /nfs/dbraw/zinc/42/05/20/536420520.db2.gz WNLPGKQDFHESNB-UHFFFAOYSA-N 2 1 375.521 0.236 50 0 GCAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000222336839 570408709 /nfs/dbraw/zinc/40/87/09/570408709.db2.gz KAXRWMBPXYSZTP-LNLFQRSKSA-N 2 1 382.549 0.792 50 0 GCAAMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000222336839 570408712 /nfs/dbraw/zinc/40/87/12/570408712.db2.gz KAXRWMBPXYSZTP-LNLFQRSKSA-N 2 1 382.549 0.792 50 0 GCAAMP CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCCC[NH+]1CCOCC1 ZINC000012571341 1196109268 /nfs/dbraw/zinc/10/92/68/1196109268.db2.gz LNGMQUDRMMDARV-SFHVURJKSA-N 2 1 382.549 0.842 50 0 GCAAMP C[N@H+]1C[C@@]2(C)CN(c3cc([C@H]4CCOC4)nc(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699922 1200688479 /nfs/dbraw/zinc/68/84/79/1200688479.db2.gz KTIZKNDKWULVKE-RYGJVYDSSA-N 2 1 375.517 1.553 50 0 GCAAMP C[N@@H+]1C[C@@]2(C)CN(c3cc([C@H]4CCOC4)[nH+]c(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699922 1200688483 /nfs/dbraw/zinc/68/84/83/1200688483.db2.gz KTIZKNDKWULVKE-RYGJVYDSSA-N 2 1 375.517 1.553 50 0 GCAAMP C[N@H+]1C[C@@]2(C)CN(c3cc([C@H]4CCOC4)[nH+]c(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699922 1200688486 /nfs/dbraw/zinc/68/84/86/1200688486.db2.gz KTIZKNDKWULVKE-RYGJVYDSSA-N 2 1 375.517 1.553 50 0 GCAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCC(=O)OC)c2)CC1 ZINC000019338355 210242140 /nfs/dbraw/zinc/24/21/40/210242140.db2.gz ABRNKZCIXMQACR-SFHVURJKSA-N 2 1 379.501 0.717 50 0 GCAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(CCO)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072429625 205350482 /nfs/dbraw/zinc/35/04/82/205350482.db2.gz UVTLLRQJUJUKAZ-SFHVURJKSA-N 2 1 377.533 0.937 50 0 GCAAMP CC1CC[NH+](Cc2cc3n(n2)CCN(C(=O)c2cn(CCC[NH3+])nn2)C3)CC1 ZINC000072424859 205348533 /nfs/dbraw/zinc/34/85/33/205348533.db2.gz UADCEZAYDZHSLY-UHFFFAOYSA-N 2 1 386.504 0.711 50 0 GCAAMP C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000095386894 211234973 /nfs/dbraw/zinc/23/49/73/211234973.db2.gz ABAHCUZZBLDNME-MRXNPFEDSA-N 2 1 380.514 0.495 50 0 GCAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)CC1 ZINC000071774566 211061886 /nfs/dbraw/zinc/06/18/86/211061886.db2.gz QSXFNMAFUXWPOL-MRXNPFEDSA-N 2 1 385.512 0.892 50 0 GCAAMP CCOCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071661600 211050705 /nfs/dbraw/zinc/05/07/05/211050705.db2.gz DDNCNZOHYLHYHW-SFHVURJKSA-N 2 1 394.560 0.890 50 0 GCAAMP CCOCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071661600 211050709 /nfs/dbraw/zinc/05/07/09/211050709.db2.gz DDNCNZOHYLHYHW-SFHVURJKSA-N 2 1 394.560 0.890 50 0 GCAAMP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[N@H+]4CCCN(C)CC4)cc3)nn2)C[NH2+]1 ZINC000067689273 211017307 /nfs/dbraw/zinc/01/73/07/211017307.db2.gz KIGWFTLAPHFGTI-MOPGFXCFSA-N 2 1 397.527 0.732 50 0 GCAAMP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCC[N@H+](C)CC4)cc3)nn2)C[NH2+]1 ZINC000067689273 211017312 /nfs/dbraw/zinc/01/73/12/211017312.db2.gz KIGWFTLAPHFGTI-MOPGFXCFSA-N 2 1 397.527 0.732 50 0 GCAAMP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCC[N@@H+](C)CC4)cc3)nn2)C[NH2+]1 ZINC000067689273 211017314 /nfs/dbraw/zinc/01/73/14/211017314.db2.gz KIGWFTLAPHFGTI-MOPGFXCFSA-N 2 1 397.527 0.732 50 0 GCAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000097757971 136188670 /nfs/dbraw/zinc/18/86/70/136188670.db2.gz LJLJVMNEGDTAAQ-INIZCTEOSA-N 2 1 376.505 0.113 50 0 GCAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000097757971 136188671 /nfs/dbraw/zinc/18/86/71/136188671.db2.gz LJLJVMNEGDTAAQ-INIZCTEOSA-N 2 1 376.505 0.113 50 0 GCAAMP CC[N@@H+](CCO)Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000019743908 1188088485 /nfs/dbraw/zinc/08/84/85/1188088485.db2.gz QGIMMFXLQAEASG-IBGZPJMESA-N 2 1 395.544 0.887 50 0 GCAAMP CC[NH+]1CCN(CCN2CC3(CCN(C4CC[NH2+]CC4)CC3)OC2=O)CC1 ZINC000072425166 211116706 /nfs/dbraw/zinc/11/67/06/211116706.db2.gz GWVBUFVUPQSCLK-UHFFFAOYSA-N 2 1 379.549 0.663 50 0 GCAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1cnnn1 ZINC000015069238 570876812 /nfs/dbraw/zinc/87/68/12/570876812.db2.gz XURLPXDWFGMCTG-GOSISDBHSA-N 2 1 393.536 0.344 50 0 GCAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000108503104 570989198 /nfs/dbraw/zinc/98/91/98/570989198.db2.gz KAXRWMBPXYSZTP-LMMKCTJWSA-N 2 1 382.549 0.792 50 0 GCAAMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000108503104 570989201 /nfs/dbraw/zinc/98/92/01/570989201.db2.gz KAXRWMBPXYSZTP-LMMKCTJWSA-N 2 1 382.549 0.792 50 0 GCAAMP CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cn(CCN3CC[NH2+]CC3)nn1)C2 ZINC000095368905 571059841 /nfs/dbraw/zinc/05/98/41/571059841.db2.gz TYQJKQUEPPHDBX-IAGOWNOFSA-N 2 1 375.521 0.130 50 0 GCAAMP CC[N@@H+](CCO)Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000019743906 1188088574 /nfs/dbraw/zinc/08/85/74/1188088574.db2.gz QGIMMFXLQAEASG-LJQANCHMSA-N 2 1 395.544 0.887 50 0 GCAAMP CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCC[NH+](C)C)s2)CC1 ZINC000007006091 204229971 /nfs/dbraw/zinc/22/99/71/204229971.db2.gz XYIVJZVORLRMQX-UHFFFAOYSA-N 2 1 377.518 0.762 50 0 GCAAMP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C[C@H]1CO ZINC000077376377 211130108 /nfs/dbraw/zinc/13/01/08/211130108.db2.gz PWMPCZQOFJQYLX-IIYDPXPESA-N 2 1 376.436 0.160 50 0 GCAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000097757970 136188709 /nfs/dbraw/zinc/18/87/09/136188709.db2.gz LJLJVMNEGDTAAQ-MRXNPFEDSA-N 2 1 376.505 0.113 50 0 GCAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000097757970 136188710 /nfs/dbraw/zinc/18/87/10/136188710.db2.gz LJLJVMNEGDTAAQ-MRXNPFEDSA-N 2 1 376.505 0.113 50 0 GCAAMP Nc1cc(-c2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)c2)[nH+]c(N)n1 ZINC000534592741 570907133 /nfs/dbraw/zinc/90/71/33/570907133.db2.gz GTDPMQVCDOBMQP-MRXNPFEDSA-N 2 1 384.484 0.935 50 0 GCAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2CO)CC1 ZINC000095371337 571061306 /nfs/dbraw/zinc/06/13/06/571061306.db2.gz BYCITJCWQCWZBX-RTBURBONSA-N 2 1 385.516 0.545 50 0 GCAAMP C[C@@H](CNC(=O)c1cn(CC[NH+](C)C)nn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000078870061 1184616034 /nfs/dbraw/zinc/61/60/34/1184616034.db2.gz SZVCXJYWJLKSMI-KRWDZBQOSA-N 2 1 385.516 0.780 50 0 GCAAMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287636 1199862628 /nfs/dbraw/zinc/86/26/28/1199862628.db2.gz WCDSOFHPMIYJBB-ZBFHGGJFSA-N 2 1 381.546 0.219 50 0 GCAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1(C(N)=O)CC1 ZINC000014958819 210134518 /nfs/dbraw/zinc/13/45/18/210134518.db2.gz NIEWIDFHHITUKH-GOSISDBHSA-N 2 1 394.560 0.923 50 0 GCAAMP COCCN1CCC[C@@](O)(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)C1=O ZINC000067741884 205258435 /nfs/dbraw/zinc/25/84/35/205258435.db2.gz SNMXATFNNGZTAZ-HXUWFJFHSA-N 2 1 376.501 0.902 50 0 GCAAMP COc1cccc(CN2CCC[C@](O)(C[N@@H+]3CCC[NH2+]CC3)C2=O)c1OC ZINC000067805060 205260370 /nfs/dbraw/zinc/26/03/70/205260370.db2.gz HTPMNVCPBZCMCE-FQEVSTJZSA-N 2 1 377.485 0.853 50 0 GCAAMP COc1cccc(CN2CCC[C@](O)(C[N@H+]3CCC[NH2+]CC3)C2=O)c1OC ZINC000067805060 205260375 /nfs/dbraw/zinc/26/03/75/205260375.db2.gz HTPMNVCPBZCMCE-FQEVSTJZSA-N 2 1 377.485 0.853 50 0 GCAAMP CCNC(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071479392 205285706 /nfs/dbraw/zinc/28/57/06/205285706.db2.gz SWYAADPPXBCQSC-KRWDZBQOSA-N 2 1 379.549 0.073 50 0 GCAAMP CCNC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071479392 205285709 /nfs/dbraw/zinc/28/57/09/205285709.db2.gz SWYAADPPXBCQSC-KRWDZBQOSA-N 2 1 379.549 0.073 50 0 GCAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)CC1 ZINC000071752111 205290851 /nfs/dbraw/zinc/29/08/51/205290851.db2.gz IUAKUCKQMJGWFK-QGZVFWFLSA-N 2 1 385.512 0.892 50 0 GCAAMP NC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071759701 205293037 /nfs/dbraw/zinc/29/30/37/205293037.db2.gz CGKDRPGWJMJLFX-GOSISDBHSA-N 2 1 384.524 0.932 50 0 GCAAMP CC(=O)NCCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071615053 211052204 /nfs/dbraw/zinc/05/22/04/211052204.db2.gz ILYAMPJXXCLDAO-SFHVURJKSA-N 2 1 379.549 0.073 50 0 GCAAMP CC(=O)NCCN1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071615053 211052209 /nfs/dbraw/zinc/05/22/09/211052209.db2.gz ILYAMPJXXCLDAO-SFHVURJKSA-N 2 1 379.549 0.073 50 0 GCAAMP O=C(NC(CO)CO)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071614827 211051018 /nfs/dbraw/zinc/05/10/18/211051018.db2.gz HVUYCFOAMUCADK-GOSISDBHSA-N 2 1 375.513 0.832 50 0 GCAAMP O=C(NC(CO)CO)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071614827 211051019 /nfs/dbraw/zinc/05/10/19/211051019.db2.gz HVUYCFOAMUCADK-GOSISDBHSA-N 2 1 375.513 0.832 50 0 GCAAMP CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000020287898 210326044 /nfs/dbraw/zinc/32/60/44/210326044.db2.gz DJZCLDRLPOCWRU-DOTOQJQBSA-N 2 1 395.573 0.609 50 0 GCAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1 ZINC000071765415 136166507 /nfs/dbraw/zinc/16/65/07/136166507.db2.gz YKQSPUAZUVWPHT-OAHLLOKOSA-N 2 1 376.505 0.811 50 0 GCAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(N4CCOCC4)c3)C[C@@H]2CO)CC1 ZINC000095366053 536414151 /nfs/dbraw/zinc/41/41/51/536414151.db2.gz PPEWFCYXSOYGKE-NHCUHLMSSA-N 2 1 388.556 0.811 50 0 GCAAMP CN(C)C(=O)C[N@@H+]1CCCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244748631 570696268 /nfs/dbraw/zinc/69/62/68/570696268.db2.gz OLMMPFKMXBUYNC-SHTZXODSSA-N 2 1 375.521 0.414 50 0 GCAAMP CN(C)C(=O)C[N@H+]1CCCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244748631 570696270 /nfs/dbraw/zinc/69/62/70/570696270.db2.gz OLMMPFKMXBUYNC-SHTZXODSSA-N 2 1 375.521 0.414 50 0 GCAAMP Cn1c2ccccc2cc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1=O ZINC000092061616 571042984 /nfs/dbraw/zinc/04/29/84/571042984.db2.gz IXISFRAUXVMAJL-WOJBJXKFSA-N 2 1 384.524 0.826 50 0 GCAAMP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)CCO)cc2OC)CC1 ZINC000020598240 1188105103 /nfs/dbraw/zinc/10/51/03/1188105103.db2.gz JTPNQGCZRIBFDE-SFHVURJKSA-N 2 1 381.517 0.497 50 0 GCAAMP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)CCO)cc2OC)CC1 ZINC000020598239 1188105193 /nfs/dbraw/zinc/10/51/93/1188105193.db2.gz JTPNQGCZRIBFDE-GOSISDBHSA-N 2 1 381.517 0.497 50 0 GCAAMP C[N@H+]1C[C@@]2(C)CN(c3cc([C@@H]4CCOC4)nc(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699923 1200689054 /nfs/dbraw/zinc/68/90/54/1200689054.db2.gz KTIZKNDKWULVKE-YSGRDPCXSA-N 2 1 375.517 1.553 50 0 GCAAMP C[N@@H+]1C[C@@]2(C)CN(c3cc([C@@H]4CCOC4)[nH+]c(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699923 1200689059 /nfs/dbraw/zinc/68/90/59/1200689059.db2.gz KTIZKNDKWULVKE-YSGRDPCXSA-N 2 1 375.517 1.553 50 0 GCAAMP C[N@H+]1C[C@@]2(C)CN(c3cc([C@@H]4CCOC4)[nH+]c(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699923 1200689065 /nfs/dbraw/zinc/68/90/65/1200689065.db2.gz KTIZKNDKWULVKE-YSGRDPCXSA-N 2 1 375.517 1.553 50 0 GCAAMP CN1CC[NH+](C2(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CCCCC2)CC1 ZINC000823789393 1201608678 /nfs/dbraw/zinc/60/86/78/1201608678.db2.gz LMVCJAAQLXHFMN-QGZVFWFLSA-N 2 1 379.549 0.250 50 0 GCAAMP CCNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[NH+]4CCOCC4)cc3)nn2)C[NH2+]1 ZINC000067867822 205263962 /nfs/dbraw/zinc/26/39/62/205263962.db2.gz DCLAYZSCBZTECO-MSOLQXFVSA-N 2 1 384.484 0.816 50 0 GCAAMP CC(=O)NCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071615056 205285157 /nfs/dbraw/zinc/28/51/57/205285157.db2.gz ILYAMPJXXCLDAO-GOSISDBHSA-N 2 1 379.549 0.073 50 0 GCAAMP CC(=O)NCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071615056 205285161 /nfs/dbraw/zinc/28/51/61/205285161.db2.gz ILYAMPJXXCLDAO-GOSISDBHSA-N 2 1 379.549 0.073 50 0 GCAAMP C[NH+]1CCN(C(=O)c2cccc(NC(=O)NC[C@]3(O)CCC[NH2+]C3)c2)CC1 ZINC000097766543 211371183 /nfs/dbraw/zinc/37/11/83/211371183.db2.gz WKCPAEUKVLWLFK-IBGZPJMESA-N 2 1 375.473 0.310 50 0 GCAAMP COCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071721275 211050526 /nfs/dbraw/zinc/05/05/26/211050526.db2.gz GSYLULBBSAXKQN-KRWDZBQOSA-N 2 1 380.533 0.500 50 0 GCAAMP COCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071721275 211050533 /nfs/dbraw/zinc/05/05/33/211050533.db2.gz GSYLULBBSAXKQN-KRWDZBQOSA-N 2 1 380.533 0.500 50 0 GCAAMP CCC(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000067974113 211031920 /nfs/dbraw/zinc/03/19/20/211031920.db2.gz LWRYEKDLQKMUPC-MRXNPFEDSA-N 2 1 378.517 0.443 50 0 GCAAMP CCC(=O)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000067974113 211031923 /nfs/dbraw/zinc/03/19/23/211031923.db2.gz LWRYEKDLQKMUPC-MRXNPFEDSA-N 2 1 378.517 0.443 50 0 GCAAMP C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(c4cc[nH+]c(N)n4)CC3)OC2=O)C1 ZINC000077535432 136172384 /nfs/dbraw/zinc/17/23/84/136172384.db2.gz SGBBWAPBHUQOPJ-OAHLLOKOSA-N 2 1 389.504 0.486 50 0 GCAAMP C[N@H+]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)CC1 ZINC000096495051 136187286 /nfs/dbraw/zinc/18/72/86/136187286.db2.gz AKGHBPMEQYFECP-UHFFFAOYSA-N 2 1 395.529 0.245 50 0 GCAAMP Cc1ccccc1C(=O)N(CC[NH+](C)C)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140803 570651052 /nfs/dbraw/zinc/65/10/52/570651052.db2.gz OAQCXTQVBPBNHG-UHFFFAOYSA-N 2 1 382.530 0.234 50 0 GCAAMP O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065501687 570771245 /nfs/dbraw/zinc/77/12/45/570771245.db2.gz AJILMGNGZFXPLO-MRXNPFEDSA-N 2 1 376.505 0.653 50 0 GCAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1cnnn1 ZINC000015069240 570876652 /nfs/dbraw/zinc/87/66/52/570876652.db2.gz XURLPXDWFGMCTG-SFHVURJKSA-N 2 1 393.536 0.344 50 0 GCAAMP O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095508882 571080327 /nfs/dbraw/zinc/08/03/27/571080327.db2.gz PWKCHTZGBJFUEI-QZTJIDSGSA-N 2 1 387.532 0.130 50 0 GCAAMP C[NH+]1CCC([NH+]2CCC(C(=O)NCc3nc(-c4cnccn4)n[nH]3)CC2)CC1 ZINC000426423407 530049836 /nfs/dbraw/zinc/04/98/36/530049836.db2.gz LSIGKMPKPGBCSM-UHFFFAOYSA-N 2 1 384.488 0.684 50 0 GCAAMP CCNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[NH+]4CCOCC4)cc3)nn2)C[NH2+]1 ZINC000067880284 205266011 /nfs/dbraw/zinc/26/60/11/205266011.db2.gz DCLAYZSCBZTECO-ROUUACIJSA-N 2 1 384.484 0.816 50 0 GCAAMP COC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071749524 205289280 /nfs/dbraw/zinc/28/92/80/205289280.db2.gz RJGWTVXSXDUNLP-KRWDZBQOSA-N 2 1 394.560 0.888 50 0 GCAAMP COC(C)(C)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071749524 205289283 /nfs/dbraw/zinc/28/92/83/205289283.db2.gz RJGWTVXSXDUNLP-KRWDZBQOSA-N 2 1 394.560 0.888 50 0 GCAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)CC1 ZINC000071752112 205292442 /nfs/dbraw/zinc/29/24/42/205292442.db2.gz IUAKUCKQMJGWFK-KRWDZBQOSA-N 2 1 385.512 0.892 50 0 GCAAMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2cc(C)n(CC(=O)NC)n2)CC1 ZINC000072137409 205308488 /nfs/dbraw/zinc/30/84/88/205308488.db2.gz XOXDPVZJGGXXOG-CVEARBPZSA-N 2 1 376.505 0.272 50 0 GCAAMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CC[NH+](CCCn1cnnn1)C3)C2 ZINC000072426358 205349577 /nfs/dbraw/zinc/34/95/77/205349577.db2.gz NZNOASIWMRRMEL-ZWKOTPCHSA-N 2 1 385.520 0.444 50 0 GCAAMP C[NH+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CC[N@H+](CCCn1cnnn1)C3)C2 ZINC000072426358 205349583 /nfs/dbraw/zinc/34/95/83/205349583.db2.gz NZNOASIWMRRMEL-ZWKOTPCHSA-N 2 1 385.520 0.444 50 0 GCAAMP C[NH+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CC[N@@H+](CCCn1cnnn1)C3)C2 ZINC000072426358 205349586 /nfs/dbraw/zinc/34/95/86/205349586.db2.gz NZNOASIWMRRMEL-ZWKOTPCHSA-N 2 1 385.520 0.444 50 0 GCAAMP COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095510458 211259887 /nfs/dbraw/zinc/25/98/87/211259887.db2.gz PZQJZWHOZVEFOG-QGZVFWFLSA-N 2 1 377.485 0.853 50 0 GCAAMP COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095510458 211259893 /nfs/dbraw/zinc/25/98/93/211259893.db2.gz PZQJZWHOZVEFOG-QGZVFWFLSA-N 2 1 377.485 0.853 50 0 GCAAMP CC[N@@H+](C)CC(=O)N1CCC([NH+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071776367 211062469 /nfs/dbraw/zinc/06/24/69/211062469.db2.gz LMGZVFPATSEDAN-SFHVURJKSA-N 2 1 393.576 0.415 50 0 GCAAMP CC[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071776367 211062471 /nfs/dbraw/zinc/06/24/71/211062471.db2.gz LMGZVFPATSEDAN-SFHVURJKSA-N 2 1 393.576 0.415 50 0 GCAAMP CC[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071776367 211062474 /nfs/dbraw/zinc/06/24/74/211062474.db2.gz LMGZVFPATSEDAN-SFHVURJKSA-N 2 1 393.576 0.415 50 0 GCAAMP COC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071749525 211055799 /nfs/dbraw/zinc/05/57/99/211055799.db2.gz RJGWTVXSXDUNLP-QGZVFWFLSA-N 2 1 394.560 0.888 50 0 GCAAMP COC(C)(C)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071749525 211055805 /nfs/dbraw/zinc/05/58/05/211055805.db2.gz RJGWTVXSXDUNLP-QGZVFWFLSA-N 2 1 394.560 0.888 50 0 GCAAMP OCC(CO)[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000011950441 221141053 /nfs/dbraw/zinc/14/10/53/221141053.db2.gz IFUSEGBNEFSJCA-NRFANRHFSA-N 2 1 386.492 0.927 50 0 GCAAMP C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCN(c3ncc[nH]c3=O)CC2)cc1 ZINC000095499754 136179697 /nfs/dbraw/zinc/17/96/97/136179697.db2.gz WCWBVSIHUHEKLC-QGZVFWFLSA-N 2 1 387.484 0.806 50 0 GCAAMP O=C(c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097323907 570241651 /nfs/dbraw/zinc/24/16/51/570241651.db2.gz KXUYXDMTFPLHQP-CVEARBPZSA-N 2 1 378.498 0.247 50 0 GCAAMP CN1CC2(C[C@@H]1C(=O)NCc1ccccn1)CCN(C(=O)Cn1ccnc1)CC2 ZINC000675010928 1189663630 /nfs/dbraw/zinc/66/36/30/1189663630.db2.gz NJPIDDZRUSRZNG-GOSISDBHSA-N 2 1 396.495 0.907 50 0 GCAAMP COCC[NH+]1CCC(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCC(C)C)CC1 ZINC000012590185 1199685143 /nfs/dbraw/zinc/68/51/43/1199685143.db2.gz HMVBJCSRGTXHGV-GOSISDBHSA-N 2 1 382.549 0.698 50 0 GCAAMP COc1ccc(C[NH+]2CCC(O)(CO)CC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095502864 211254664 /nfs/dbraw/zinc/25/46/64/211254664.db2.gz SYICEDFUXOJZAB-GOSISDBHSA-N 2 1 394.512 0.850 50 0 GCAAMP COc1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc2c1OCO2 ZINC000091738151 211205207 /nfs/dbraw/zinc/20/52/07/211205207.db2.gz MJAHUSUBIPJHKM-IAGOWNOFSA-N 2 1 377.485 0.712 50 0 GCAAMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3cccs3)CC1)C2=O ZINC000022787272 570327847 /nfs/dbraw/zinc/32/78/47/570327847.db2.gz CRYFAIKOAMKUJR-UHFFFAOYSA-N 2 1 377.514 0.839 50 0 GCAAMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000229880998 570378240 /nfs/dbraw/zinc/37/82/40/570378240.db2.gz VCPSEROHBTWMQQ-PKOBYXMFSA-N 2 1 380.533 0.642 50 0 GCAAMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3cccc4cccnc43)CCN2C1=O ZINC000014745469 570858912 /nfs/dbraw/zinc/85/89/12/570858912.db2.gz LKSRQMMBNBFVQB-ZWKOTPCHSA-N 2 1 381.480 0.875 50 0 GCAAMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3cccc4cccnc43)CCN2C1=O ZINC000014745469 570858914 /nfs/dbraw/zinc/85/89/14/570858914.db2.gz LKSRQMMBNBFVQB-ZWKOTPCHSA-N 2 1 381.480 0.875 50 0 GCAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000095504845 571078153 /nfs/dbraw/zinc/07/81/53/571078153.db2.gz OIOAMKWTHFOMPL-UHFFFAOYSA-N 2 1 391.516 0.342 50 0 GCAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000170628284 639630533 /nfs/dbraw/zinc/63/05/33/639630533.db2.gz LMILLGCLUOWQFH-CQSZACIVSA-N 2 1 388.559 0.884 50 0 GCAAMP COCC[N@H+](C)C[C@@H]1C[NH+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091643789 208128598 /nfs/dbraw/zinc/12/85/98/208128598.db2.gz QYHUMPQAQKCKBM-RTBURBONSA-N 2 1 390.528 0.805 50 0 GCAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091643789 208128605 /nfs/dbraw/zinc/12/86/05/208128605.db2.gz QYHUMPQAQKCKBM-RTBURBONSA-N 2 1 390.528 0.805 50 0 GCAAMP COCC[NH+](C)C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091643789 208128610 /nfs/dbraw/zinc/12/86/10/208128610.db2.gz QYHUMPQAQKCKBM-RTBURBONSA-N 2 1 390.528 0.805 50 0 GCAAMP COCC[NH+](C)C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091643789 208128616 /nfs/dbraw/zinc/12/86/16/208128616.db2.gz QYHUMPQAQKCKBM-RTBURBONSA-N 2 1 390.528 0.805 50 0 GCAAMP NS(=O)(=O)c1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)cc1 ZINC000096141519 208271784 /nfs/dbraw/zinc/27/17/84/208271784.db2.gz UNUXLBFLVCUJLJ-DNVCBOLYSA-N 2 1 392.525 0.414 50 0 GCAAMP C[NH+]1CCN(C(=O)c2cccc(NC(=O)NC[C@@]3(O)CCC[NH2+]C3)c2)CC1 ZINC000097766549 208360825 /nfs/dbraw/zinc/36/08/25/208360825.db2.gz WKCPAEUKVLWLFK-LJQANCHMSA-N 2 1 375.473 0.310 50 0 GCAAMP CC[NH+](CC)CCNC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678755 221340166 /nfs/dbraw/zinc/34/01/66/221340166.db2.gz CACKWVOUYYKZDP-UHFFFAOYSA-N 2 1 388.520 0.267 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCn4cncn4)CC3)C2)CC1 ZINC000071753435 222191142 /nfs/dbraw/zinc/19/11/42/222191142.db2.gz ZAZKVPNQVYJNBZ-SFHVURJKSA-N 2 1 389.548 0.229 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCn4cncn4)CC3)C2)CC1 ZINC000071753435 222191145 /nfs/dbraw/zinc/19/11/45/222191145.db2.gz ZAZKVPNQVYJNBZ-SFHVURJKSA-N 2 1 389.548 0.229 50 0 GCAAMP CCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071752577 222191739 /nfs/dbraw/zinc/19/17/39/222191739.db2.gz LYRIVJARAMGIKJ-KRWDZBQOSA-N 2 1 380.533 0.500 50 0 GCAAMP CCOCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071752577 222191743 /nfs/dbraw/zinc/19/17/43/222191743.db2.gz LYRIVJARAMGIKJ-KRWDZBQOSA-N 2 1 380.533 0.500 50 0 GCAAMP C[NH+](C)C[C@H](O)COc1ccc(C[NH+]2CCN(c3ncc[nH]c3=O)CC2)cc1 ZINC000095499753 535955057 /nfs/dbraw/zinc/95/50/57/535955057.db2.gz WCWBVSIHUHEKLC-KRWDZBQOSA-N 2 1 387.484 0.806 50 0 GCAAMP COCC[N@@H+](C)CCN1CC2(CCN(c3cc(C)[nH+]c(N)n3)CC2)OC1=O ZINC000077339820 536797514 /nfs/dbraw/zinc/79/75/14/536797514.db2.gz VSICKZAYCHHINK-UHFFFAOYSA-N 2 1 378.477 0.737 50 0 GCAAMP O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065501691 570771326 /nfs/dbraw/zinc/77/13/26/570771326.db2.gz AJILMGNGZFXPLO-INIZCTEOSA-N 2 1 376.505 0.653 50 0 GCAAMP CCOCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071752578 570847469 /nfs/dbraw/zinc/84/74/69/570847469.db2.gz LYRIVJARAMGIKJ-QGZVFWFLSA-N 2 1 380.533 0.500 50 0 GCAAMP CCOCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071752578 570847472 /nfs/dbraw/zinc/84/74/72/570847472.db2.gz LYRIVJARAMGIKJ-QGZVFWFLSA-N 2 1 380.533 0.500 50 0 GCAAMP C[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071757279 570849194 /nfs/dbraw/zinc/84/91/94/570849194.db2.gz MDQYKDHSYTZNRJ-QGZVFWFLSA-N 2 1 387.528 0.962 50 0 GCAAMP CSCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774509 570852508 /nfs/dbraw/zinc/85/25/08/570852508.db2.gz OUVBFUUHKKJYHD-MRXNPFEDSA-N 2 1 382.574 0.826 50 0 GCAAMP CSCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774509 570852510 /nfs/dbraw/zinc/85/25/10/570852510.db2.gz OUVBFUUHKKJYHD-MRXNPFEDSA-N 2 1 382.574 0.826 50 0 GCAAMP O=C(NC(CO)CO)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071780054 570853396 /nfs/dbraw/zinc/85/33/96/570853396.db2.gz DLINZCAISFYWTL-IBGZPJMESA-N 2 1 389.540 0.875 50 0 GCAAMP O=C(NC(CO)CO)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071780054 570853398 /nfs/dbraw/zinc/85/33/98/570853398.db2.gz DLINZCAISFYWTL-IBGZPJMESA-N 2 1 389.540 0.875 50 0 GCAAMP CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000020287896 207186355 /nfs/dbraw/zinc/18/63/55/207186355.db2.gz DJZCLDRLPOCWRU-RDJZCZTQSA-N 2 1 395.573 0.609 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4ccon4)CC3)C2)CC1 ZINC000071589429 570840798 /nfs/dbraw/zinc/84/07/98/570840798.db2.gz OCBUGPRMBWHBOB-INIZCTEOSA-N 2 1 389.500 0.765 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)c4ccon4)CC3)C2)CC1 ZINC000071589429 570840801 /nfs/dbraw/zinc/84/08/01/570840801.db2.gz OCBUGPRMBWHBOB-INIZCTEOSA-N 2 1 389.500 0.765 50 0 GCAAMP CC(C)Nc1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cn1 ZINC000091487106 571010930 /nfs/dbraw/zinc/01/09/30/571010930.db2.gz SLVQHSMIEGUAFT-RTBURBONSA-N 2 1 376.549 0.975 50 0 GCAAMP CC(C)Nc1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cn1 ZINC000091487106 571010933 /nfs/dbraw/zinc/01/09/33/571010933.db2.gz SLVQHSMIEGUAFT-RTBURBONSA-N 2 1 376.549 0.975 50 0 GCAAMP CC(C)Nc1ncc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cn1 ZINC000091487106 571010936 /nfs/dbraw/zinc/01/09/36/571010936.db2.gz SLVQHSMIEGUAFT-RTBURBONSA-N 2 1 376.549 0.975 50 0 GCAAMP CC(C)Nc1ncc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cn1 ZINC000091487106 571010938 /nfs/dbraw/zinc/01/09/38/571010938.db2.gz SLVQHSMIEGUAFT-RTBURBONSA-N 2 1 376.549 0.975 50 0 GCAAMP OCC(CO)[NH2+]Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000011950449 212077149 /nfs/dbraw/zinc/07/71/49/212077149.db2.gz IFUSEGBNEFSJCA-OAQYLSRUSA-N 2 1 386.492 0.927 50 0 GCAAMP CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000015079529 207045703 /nfs/dbraw/zinc/04/57/03/207045703.db2.gz DWLMAZZHMVEVMB-KRWDZBQOSA-N 2 1 382.574 0.873 50 0 GCAAMP CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000015079529 207045707 /nfs/dbraw/zinc/04/57/07/207045707.db2.gz DWLMAZZHMVEVMB-KRWDZBQOSA-N 2 1 382.574 0.873 50 0 GCAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCC(=O)OC)c2)CC1 ZINC000019338350 207116901 /nfs/dbraw/zinc/11/69/01/207116901.db2.gz ABRNKZCIXMQACR-GOSISDBHSA-N 2 1 379.501 0.717 50 0 GCAAMP CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000020287892 207186655 /nfs/dbraw/zinc/18/66/55/207186655.db2.gz DJZCLDRLPOCWRU-WBVHZDCISA-N 2 1 395.573 0.609 50 0 GCAAMP COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000023373119 207275799 /nfs/dbraw/zinc/27/57/99/207275799.db2.gz SKBONWVVEOGQBS-SFHVURJKSA-N 2 1 381.517 0.761 50 0 GCAAMP C[N@@H+](CCO)C[C@@H]1CN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C[C@@H]1CO ZINC000091679446 208133674 /nfs/dbraw/zinc/13/36/74/208133674.db2.gz QPFOITCEZKZEDL-NHCUHLMSSA-N 2 1 389.540 0.857 50 0 GCAAMP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CC(N)=O)CC2)c(Cl)c1 ZINC000095501355 208201223 /nfs/dbraw/zinc/20/12/23/208201223.db2.gz FIXTYPOUMPRXEX-UHFFFAOYSA-N 2 1 382.892 0.960 50 0 GCAAMP O=C(N1CC[NH+](CCCOc2ccc(F)cc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096150804 208276328 /nfs/dbraw/zinc/27/63/28/208276328.db2.gz WLQAANARFUGUHS-UHFFFAOYSA-N 3 1 376.476 0.548 50 0 GCAAMP Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc(N)[nH+]1 ZINC000071714530 136165671 /nfs/dbraw/zinc/16/56/71/136165671.db2.gz SSFRSYBKAOGRAH-INIZCTEOSA-N 2 1 388.516 0.907 50 0 GCAAMP CCCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071681499 222186767 /nfs/dbraw/zinc/18/67/67/222186767.db2.gz UDFMXKTVQIKXGI-SFHVURJKSA-N 2 1 394.560 0.890 50 0 GCAAMP CCCOCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071681499 222186772 /nfs/dbraw/zinc/18/67/72/222186772.db2.gz UDFMXKTVQIKXGI-SFHVURJKSA-N 2 1 394.560 0.890 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCn4cncn4)CC3)C2)CC1 ZINC000071753434 222192467 /nfs/dbraw/zinc/19/24/67/222192467.db2.gz ZAZKVPNQVYJNBZ-GOSISDBHSA-N 2 1 389.548 0.229 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCn4cncn4)CC3)C2)CC1 ZINC000071753434 222192471 /nfs/dbraw/zinc/19/24/71/222192471.db2.gz ZAZKVPNQVYJNBZ-GOSISDBHSA-N 2 1 389.548 0.229 50 0 GCAAMP NC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071759700 222193818 /nfs/dbraw/zinc/19/38/18/222193818.db2.gz CGKDRPGWJMJLFX-SFHVURJKSA-N 2 1 384.524 0.932 50 0 GCAAMP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000095512120 222341664 /nfs/dbraw/zinc/34/16/64/222341664.db2.gz WGZBOSCWOYVYPD-SFHVURJKSA-N 2 1 378.521 0.723 50 0 GCAAMP C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CC[C@]3(CC(=O)NC3=O)C2)CC1 ZINC000082106765 222309200 /nfs/dbraw/zinc/30/92/00/222309200.db2.gz QLSFRYYCPUPTPI-NRFANRHFSA-N 2 1 386.496 0.551 50 0 GCAAMP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CC[C@]3(CC(=O)NC3=O)C2)CC1 ZINC000082106765 222309208 /nfs/dbraw/zinc/30/92/08/222309208.db2.gz QLSFRYYCPUPTPI-NRFANRHFSA-N 2 1 386.496 0.551 50 0 GCAAMP CN1CC[NH+](CCOc2ccccc2C[N@H+]2CC[C@]3(CC(=O)NC3=O)C2)CC1 ZINC000082106765 222309212 /nfs/dbraw/zinc/30/92/12/222309212.db2.gz QLSFRYYCPUPTPI-NRFANRHFSA-N 2 1 386.496 0.551 50 0 GCAAMP COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000023373122 570357823 /nfs/dbraw/zinc/35/78/23/570357823.db2.gz SKBONWVVEOGQBS-GOSISDBHSA-N 2 1 381.517 0.761 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4ccon4)CC3)C2)CC1 ZINC000071589428 570840959 /nfs/dbraw/zinc/84/09/59/570840959.db2.gz OCBUGPRMBWHBOB-MRXNPFEDSA-N 2 1 389.500 0.765 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)c4ccon4)CC3)C2)CC1 ZINC000071589428 570840960 /nfs/dbraw/zinc/84/09/60/570840960.db2.gz OCBUGPRMBWHBOB-MRXNPFEDSA-N 2 1 389.500 0.765 50 0 GCAAMP CSCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774510 570852537 /nfs/dbraw/zinc/85/25/37/570852537.db2.gz OUVBFUUHKKJYHD-INIZCTEOSA-N 2 1 382.574 0.826 50 0 GCAAMP CSCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774510 570852538 /nfs/dbraw/zinc/85/25/38/570852538.db2.gz OUVBFUUHKKJYHD-INIZCTEOSA-N 2 1 382.574 0.826 50 0 GCAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000170628285 639630703 /nfs/dbraw/zinc/63/07/03/639630703.db2.gz LMILLGCLUOWQFH-AWEZNQCLSA-N 2 1 388.559 0.884 50 0 GCAAMP C[C@H](CNC(=O)c1cn(CC[NH+](C)C)nn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000078870063 1184615726 /nfs/dbraw/zinc/61/57/26/1184615726.db2.gz SZVCXJYWJLKSMI-QGZVFWFLSA-N 2 1 385.516 0.780 50 0 GCAAMP CN1CC2(C[C@H]1C(=O)NCc1ccccn1)CCN(C(=O)Cn1ccnc1)CC2 ZINC000675010929 1189663860 /nfs/dbraw/zinc/66/38/60/1189663860.db2.gz NJPIDDZRUSRZNG-SFHVURJKSA-N 2 1 396.495 0.907 50 0 GCAAMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287630 207187190 /nfs/dbraw/zinc/18/71/90/207187190.db2.gz WCDSOFHPMIYJBB-GDBMZVCRSA-N 2 1 381.546 0.219 50 0 GCAAMP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1C ZINC000091563351 208121633 /nfs/dbraw/zinc/12/16/33/208121633.db2.gz QVMASQZRTNQCFE-QZTJIDSGSA-N 2 1 377.533 0.908 50 0 GCAAMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014744927 221316472 /nfs/dbraw/zinc/31/64/72/221316472.db2.gz SOAJFGQXCHXQPU-RBUKOAKNSA-N 2 1 381.480 0.875 50 0 GCAAMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014744927 221316473 /nfs/dbraw/zinc/31/64/73/221316473.db2.gz SOAJFGQXCHXQPU-RBUKOAKNSA-N 2 1 381.480 0.875 50 0 GCAAMP Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc(N)[nH+]1 ZINC000071714532 136165757 /nfs/dbraw/zinc/16/57/57/136165757.db2.gz SSFRSYBKAOGRAH-MRXNPFEDSA-N 2 1 388.516 0.907 50 0 GCAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071762172 136166289 /nfs/dbraw/zinc/16/62/89/136166289.db2.gz KMVSHGBJAJZFEB-HNNXBMFYSA-N 2 1 376.505 0.962 50 0 GCAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071762172 136166290 /nfs/dbraw/zinc/16/62/90/136166290.db2.gz KMVSHGBJAJZFEB-HNNXBMFYSA-N 2 1 376.505 0.962 50 0 GCAAMP O=C(NC(CO)CO)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071780056 570853433 /nfs/dbraw/zinc/85/34/33/570853433.db2.gz DLINZCAISFYWTL-LJQANCHMSA-N 2 1 389.540 0.875 50 0 GCAAMP O=C(NC(CO)CO)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071780056 570853435 /nfs/dbraw/zinc/85/34/35/570853435.db2.gz DLINZCAISFYWTL-LJQANCHMSA-N 2 1 389.540 0.875 50 0 GCAAMP O=CN1CCCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 ZINC000012584729 1200716962 /nfs/dbraw/zinc/71/69/62/1200716962.db2.gz FTLWAEFJVURMIZ-LJQANCHMSA-N 2 1 377.485 0.423 50 0 GCAAMP CN1CC[NH+](C2(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CCCCC2)CC1 ZINC000823789392 1201608504 /nfs/dbraw/zinc/60/85/04/1201608504.db2.gz LMVCJAAQLXHFMN-KRWDZBQOSA-N 2 1 379.549 0.250 50 0 GCAAMP CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000020287894 207185562 /nfs/dbraw/zinc/18/55/62/207185562.db2.gz DJZCLDRLPOCWRU-NVXWUHKLSA-N 2 1 395.573 0.609 50 0 GCAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(CCO)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072429623 208025120 /nfs/dbraw/zinc/02/51/20/208025120.db2.gz UVTLLRQJUJUKAZ-GOSISDBHSA-N 2 1 377.533 0.937 50 0 GCAAMP Cc1c(C(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237810737 136192355 /nfs/dbraw/zinc/19/23/55/136192355.db2.gz XXCOFABQBUTSAL-UHFFFAOYSA-N 2 1 384.488 0.880 50 0 GCAAMP CCNC(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071479393 222185011 /nfs/dbraw/zinc/18/50/11/222185011.db2.gz SWYAADPPXBCQSC-QGZVFWFLSA-N 2 1 379.549 0.073 50 0 GCAAMP CCNC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071479393 222185015 /nfs/dbraw/zinc/18/50/15/222185015.db2.gz SWYAADPPXBCQSC-QGZVFWFLSA-N 2 1 379.549 0.073 50 0 GCAAMP C[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071757278 222193233 /nfs/dbraw/zinc/19/32/33/222193233.db2.gz MDQYKDHSYTZNRJ-KRWDZBQOSA-N 2 1 387.528 0.962 50 0 GCAAMP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000095512121 222342642 /nfs/dbraw/zinc/34/26/42/222342642.db2.gz WGZBOSCWOYVYPD-GOSISDBHSA-N 2 1 378.521 0.723 50 0 GCAAMP C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CC[C@@]3(CC(=O)NC3=O)C2)CC1 ZINC000082106766 222309056 /nfs/dbraw/zinc/30/90/56/222309056.db2.gz QLSFRYYCPUPTPI-OAQYLSRUSA-N 2 1 386.496 0.551 50 0 GCAAMP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CC[C@@]3(CC(=O)NC3=O)C2)CC1 ZINC000082106766 222309067 /nfs/dbraw/zinc/30/90/67/222309067.db2.gz QLSFRYYCPUPTPI-OAQYLSRUSA-N 2 1 386.496 0.551 50 0 GCAAMP CN1CC[NH+](CCOc2ccccc2C[N@H+]2CC[C@@]3(CC(=O)NC3=O)C2)CC1 ZINC000082106766 222309072 /nfs/dbraw/zinc/30/90/72/222309072.db2.gz QLSFRYYCPUPTPI-OAQYLSRUSA-N 2 1 386.496 0.551 50 0 GCAAMP COCCN1CCC[C@](O)(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)C1=O ZINC000106733578 570306973 /nfs/dbraw/zinc/30/69/73/570306973.db2.gz SNMXATFNNGZTAZ-FQEVSTJZSA-N 2 1 376.501 0.902 50 0 GCAAMP COCCC[NH2+]Cc1ccc(OC)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000023361118 570356819 /nfs/dbraw/zinc/35/68/19/570356819.db2.gz PVLQBKCXGVKDRV-GOSISDBHSA-N 2 1 381.517 0.808 50 0 GCAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000097164301 570901208 /nfs/dbraw/zinc/90/12/08/570901208.db2.gz KAXRWMBPXYSZTP-AOIWGVFYSA-N 2 1 382.549 0.792 50 0 GCAAMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000097164301 570901215 /nfs/dbraw/zinc/90/12/15/570901215.db2.gz KAXRWMBPXYSZTP-AOIWGVFYSA-N 2 1 382.549 0.792 50 0 GCAAMP Nc1cc(-c2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)c2)[nH+]c(N)n1 ZINC000534592740 570906937 /nfs/dbraw/zinc/90/69/37/570906937.db2.gz GTDPMQVCDOBMQP-INIZCTEOSA-N 2 1 384.484 0.935 50 0 GCAAMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000229880992 206260185 /nfs/dbraw/zinc/26/01/85/206260185.db2.gz VCPSEROHBTWMQQ-IEBWSBKVSA-N 2 1 380.533 0.642 50 0 GCAAMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287638 207187082 /nfs/dbraw/zinc/18/70/82/207187082.db2.gz WCDSOFHPMIYJBB-HOCLYGCPSA-N 2 1 381.546 0.219 50 0 GCAAMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000072410920 208018739 /nfs/dbraw/zinc/01/87/39/208018739.db2.gz HSANKSRFIOHILJ-CVEARBPZSA-N 2 1 381.498 0.951 50 0 GCAAMP COc1ccc(C[NH+]2CCC(O)(CO)CC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095502865 208205232 /nfs/dbraw/zinc/20/52/32/208205232.db2.gz SYICEDFUXOJZAB-SFHVURJKSA-N 2 1 394.512 0.850 50 0 GCAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1 ZINC000071765414 136166539 /nfs/dbraw/zinc/16/65/39/136166539.db2.gz YKQSPUAZUVWPHT-HNNXBMFYSA-N 2 1 376.505 0.811 50 0 GCAAMP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CC[NH+](C)CC4)cc3)nn2)C[NH2+]1 ZINC000067460146 222147220 /nfs/dbraw/zinc/14/72/20/222147220.db2.gz RWIUBLIVEABZQM-MSOLQXFVSA-N 2 1 383.500 0.342 50 0 GCAAMP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[N@H+]4CCCN(C)CC4)cc3)nn2)C[NH2+]1 ZINC000067603992 222150653 /nfs/dbraw/zinc/15/06/53/222150653.db2.gz KIGWFTLAPHFGTI-OALUTQOASA-N 2 1 397.527 0.732 50 0 GCAAMP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CCC[N@H+](C)CC4)cc3)nn2)C[NH2+]1 ZINC000067603992 222150658 /nfs/dbraw/zinc/15/06/58/222150658.db2.gz KIGWFTLAPHFGTI-OALUTQOASA-N 2 1 397.527 0.732 50 0 GCAAMP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CCC[N@@H+](C)CC4)cc3)nn2)C[NH2+]1 ZINC000067603992 222150664 /nfs/dbraw/zinc/15/06/64/222150664.db2.gz KIGWFTLAPHFGTI-OALUTQOASA-N 2 1 397.527 0.732 50 0 GCAAMP COc1cccc(CN2CCC[C@@](O)(C[N@@H+]3CCC[NH2+]CC3)C2=O)c1OC ZINC000067805061 222160744 /nfs/dbraw/zinc/16/07/44/222160744.db2.gz HTPMNVCPBZCMCE-HXUWFJFHSA-N 2 1 377.485 0.853 50 0 GCAAMP COc1cccc(CN2CCC[C@@](O)(C[N@H+]3CCC[NH2+]CC3)C2=O)c1OC ZINC000067805061 222160747 /nfs/dbraw/zinc/16/07/47/222160747.db2.gz HTPMNVCPBZCMCE-HXUWFJFHSA-N 2 1 377.485 0.853 50 0 GCAAMP COCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071721274 222187630 /nfs/dbraw/zinc/18/76/30/222187630.db2.gz GSYLULBBSAXKQN-QGZVFWFLSA-N 2 1 380.533 0.500 50 0 GCAAMP COCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071721274 222187634 /nfs/dbraw/zinc/18/76/34/222187634.db2.gz GSYLULBBSAXKQN-QGZVFWFLSA-N 2 1 380.533 0.500 50 0 GCAAMP CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCC[NH3+])CC3)C2)CC1 ZINC000071754658 222192124 /nfs/dbraw/zinc/19/21/24/222192124.db2.gz HEIZHIACKNCCSJ-QGZVFWFLSA-N 2 1 379.549 0.202 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCC[NH3+])CC3)C2)CC1 ZINC000071754658 222192128 /nfs/dbraw/zinc/19/21/28/222192128.db2.gz HEIZHIACKNCCSJ-QGZVFWFLSA-N 3 1 379.549 0.202 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCC[NH3+])CC3)C2)CC1 ZINC000071754658 222192130 /nfs/dbraw/zinc/19/21/30/222192130.db2.gz HEIZHIACKNCCSJ-QGZVFWFLSA-N 3 1 379.549 0.202 50 0 GCAAMP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cnc(N4CCCCC4)nc3)C[C@@H]2CO)CC1 ZINC000091860133 536414957 /nfs/dbraw/zinc/41/49/57/536414957.db2.gz DYAWGHZTSMEIGK-WOJBJXKFSA-N 2 1 388.560 0.755 50 0 GCAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cnc(N4CCCCC4)nc3)C[C@@H]2CO)CC1 ZINC000091860133 536414961 /nfs/dbraw/zinc/41/49/61/536414961.db2.gz DYAWGHZTSMEIGK-WOJBJXKFSA-N 2 1 388.560 0.755 50 0 GCAAMP COCCC[NH2+]Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000023361115 570356782 /nfs/dbraw/zinc/35/67/82/570356782.db2.gz PVLQBKCXGVKDRV-SFHVURJKSA-N 2 1 381.517 0.808 50 0 GCAAMP CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCC[NH3+])CC3)C2)CC1 ZINC000071754659 570848369 /nfs/dbraw/zinc/84/83/69/570848369.db2.gz HEIZHIACKNCCSJ-KRWDZBQOSA-N 2 1 379.549 0.202 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCC[NH3+])CC3)C2)CC1 ZINC000071754659 570848372 /nfs/dbraw/zinc/84/83/72/570848372.db2.gz HEIZHIACKNCCSJ-KRWDZBQOSA-N 3 1 379.549 0.202 50 0 GCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCC[NH3+])CC3)C2)CC1 ZINC000071754659 570848378 /nfs/dbraw/zinc/84/83/78/570848378.db2.gz HEIZHIACKNCCSJ-KRWDZBQOSA-N 3 1 379.549 0.202 50 0 GCAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CC1 ZINC000071774567 570852555 /nfs/dbraw/zinc/85/25/55/570852555.db2.gz QSXFNMAFUXWPOL-INIZCTEOSA-N 2 1 385.512 0.892 50 0 GCAAMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000079105443 1186744990 /nfs/dbraw/zinc/74/49/90/1186744990.db2.gz VCPSEROHBTWMQQ-HKUYNNGSSA-N 2 1 380.533 0.642 50 0 GCAAMP Cc1c(C[NH+]2CCC3(CC2)CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO3)cnn1C ZINC000823754926 1201607246 /nfs/dbraw/zinc/60/72/46/1201607246.db2.gz BRJNJWXBUOIBLX-KRWDZBQOSA-N 2 1 375.517 0.874 50 0 GCAAMP CC(C)C[N@H+]1CCCn2nc(CNC(=O)CN3CC[C@H]([NH+](C)C)C3)cc2C1 ZINC000082106666 208080645 /nfs/dbraw/zinc/08/06/45/208080645.db2.gz QLJCXRZBEVMQBN-SFHVURJKSA-N 2 1 376.549 0.997 50 0 GCAAMP Cc1[nH+]cn(CC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c1C ZINC000091551730 208121684 /nfs/dbraw/zinc/12/16/84/208121684.db2.gz XNXQEDJHNOTXKP-MOPGFXCFSA-N 2 1 377.533 0.737 50 0 GCAAMP O=C1CC[N@@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CCN1 ZINC000012052835 221145135 /nfs/dbraw/zinc/14/51/35/221145135.db2.gz HIKHRVHGFGQCDT-QGZVFWFLSA-N 2 1 379.526 0.797 50 0 GCAAMP CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000015079531 221332436 /nfs/dbraw/zinc/33/24/36/221332436.db2.gz DWLMAZZHMVEVMB-QGZVFWFLSA-N 2 1 382.574 0.873 50 0 GCAAMP CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000015079531 221332439 /nfs/dbraw/zinc/33/24/39/221332439.db2.gz DWLMAZZHMVEVMB-QGZVFWFLSA-N 2 1 382.574 0.873 50 0 GCAAMP CC[NH+]1CCN(CCN2CC3(CCN(C[C@H]4CCC[NH2+]C4)CC3)OC2=O)CC1 ZINC000072438038 222260258 /nfs/dbraw/zinc/26/02/58/222260258.db2.gz FQSWJYJMLVYGSQ-IBGZPJMESA-N 2 1 393.576 0.910 50 0 GCAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccn4)nc3)C[C@@H]2CO)CC1 ZINC000092107966 222329419 /nfs/dbraw/zinc/32/94/19/222329419.db2.gz NYNSCOBVIFNVRW-RTBURBONSA-N 2 1 382.512 0.826 50 0 GCAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1cncn1 ZINC000011934374 570593537 /nfs/dbraw/zinc/59/35/37/570593537.db2.gz FWGMOVONTIUKGL-LJQANCHMSA-N 2 1 392.548 0.949 50 0 GCAAMP CCC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000067974111 570799077 /nfs/dbraw/zinc/79/90/77/570799077.db2.gz LWRYEKDLQKMUPC-INIZCTEOSA-N 2 1 378.517 0.443 50 0 GCAAMP CCC(=O)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000067974111 570799079 /nfs/dbraw/zinc/79/90/79/570799079.db2.gz LWRYEKDLQKMUPC-INIZCTEOSA-N 2 1 378.517 0.443 50 0 GCAAMP O=C(NC(CO)CO)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071614825 570842026 /nfs/dbraw/zinc/84/20/26/570842026.db2.gz HVUYCFOAMUCADK-SFHVURJKSA-N 2 1 375.513 0.832 50 0 GCAAMP O=C(NC(CO)CO)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071614825 570842028 /nfs/dbraw/zinc/84/20/28/570842028.db2.gz HVUYCFOAMUCADK-SFHVURJKSA-N 2 1 375.513 0.832 50 0 GCAAMP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1C ZINC000091649716 571022790 /nfs/dbraw/zinc/02/27/90/571022790.db2.gz ICKAVYADZPBUNN-QZTJIDSGSA-N 2 1 376.549 0.842 50 0 GCAAMP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1C ZINC000091649716 571022792 /nfs/dbraw/zinc/02/27/92/571022792.db2.gz ICKAVYADZPBUNN-QZTJIDSGSA-N 2 1 376.549 0.842 50 0 GCAAMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287633 1199862554 /nfs/dbraw/zinc/86/25/54/1199862554.db2.gz WCDSOFHPMIYJBB-GOEBONIOSA-N 2 1 381.546 0.219 50 0 GCAAMP C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)c2)CC[NH2+]1 ZINC000097797205 208363344 /nfs/dbraw/zinc/36/33/44/208363344.db2.gz IAVAYRWPVMTDEI-SNPRPXQTSA-N 2 1 384.477 0.099 50 0 GCAAMP COCC[NH+]1CCC(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CCC(C)C)CC1 ZINC000012590182 221211020 /nfs/dbraw/zinc/21/10/20/221211020.db2.gz HMVBJCSRGTXHGV-SFHVURJKSA-N 2 1 382.549 0.698 50 0 GCAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071762173 136166341 /nfs/dbraw/zinc/16/63/41/136166341.db2.gz KMVSHGBJAJZFEB-OAHLLOKOSA-N 2 1 376.505 0.962 50 0 GCAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071762173 136166342 /nfs/dbraw/zinc/16/63/42/136166342.db2.gz KMVSHGBJAJZFEB-OAHLLOKOSA-N 2 1 376.505 0.962 50 0 GCAAMP C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(c4cc[nH+]c(N)n4)CC3)OC2=O)C1 ZINC000077535435 136172330 /nfs/dbraw/zinc/17/23/30/136172330.db2.gz SGBBWAPBHUQOPJ-HNNXBMFYSA-N 2 1 389.504 0.486 50 0 GCAAMP CCCOCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071681502 222188007 /nfs/dbraw/zinc/18/80/07/222188007.db2.gz UDFMXKTVQIKXGI-GOSISDBHSA-N 2 1 394.560 0.890 50 0 GCAAMP CCCOCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071681502 222188009 /nfs/dbraw/zinc/18/80/09/222188009.db2.gz UDFMXKTVQIKXGI-GOSISDBHSA-N 2 1 394.560 0.890 50 0 GCAAMP CC[NH+]1CCN(CCN2CC3(CCN(C[C@@H]4CCC[NH2+]C4)CC3)OC2=O)CC1 ZINC000072438033 222261610 /nfs/dbraw/zinc/26/16/10/222261610.db2.gz FQSWJYJMLVYGSQ-LJQANCHMSA-N 2 1 393.576 0.910 50 0 GCAAMP COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095510459 222341512 /nfs/dbraw/zinc/34/15/12/222341512.db2.gz PZQJZWHOZVEFOG-KRWDZBQOSA-N 2 1 377.485 0.853 50 0 GCAAMP COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095510459 222341516 /nfs/dbraw/zinc/34/15/16/222341516.db2.gz PZQJZWHOZVEFOG-KRWDZBQOSA-N 2 1 377.485 0.853 50 0 GCAAMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000097742661 570252598 /nfs/dbraw/zinc/25/25/98/570252598.db2.gz QKWOLWSUPBFUPF-OAHLLOKOSA-N 2 1 380.514 0.434 50 0 GCAAMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000097742661 570252601 /nfs/dbraw/zinc/25/26/01/570252601.db2.gz QKWOLWSUPBFUPF-OAHLLOKOSA-N 2 1 380.514 0.434 50 0 GCAAMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000079105450 1186745015 /nfs/dbraw/zinc/74/50/15/1186745015.db2.gz VCPSEROHBTWMQQ-MJGOQNOKSA-N 2 1 380.533 0.642 50 0 GCAAMP CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCCCC[NH+]1CCOCC1 ZINC000012571348 1199683010 /nfs/dbraw/zinc/68/30/10/1199683010.db2.gz LNGMQUDRMMDARV-GOSISDBHSA-N 2 1 382.549 0.842 50 0 GCAAMP O=CN1CCCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 ZINC000012584735 1200716358 /nfs/dbraw/zinc/71/63/58/1200716358.db2.gz FTLWAEFJVURMIZ-IBGZPJMESA-N 2 1 377.485 0.423 50 0 GCAAMP Cc1c(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO3)cnn1C ZINC000823754927 1201606830 /nfs/dbraw/zinc/60/68/30/1201606830.db2.gz BRJNJWXBUOIBLX-QGZVFWFLSA-N 2 1 375.517 0.874 50 0 GCAAMP