smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048564571 1405226504 /nfs/dbraw/zinc/22/65/04/1405226504.db2.gz PMMNSVTUSDKZAP-QFIPXVFZSA-N 1 3 385.552 3.080 20 30 GGEDHO C=CCN(Cc1cccs1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759398 1405860813 /nfs/dbraw/zinc/86/08/13/1405860813.db2.gz PQFHDOZOEUAWCQ-UHFFFAOYSA-N 1 3 376.570 3.004 20 30 GGEDHO C=C(C)COc1cc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)ccc1OC ZINC000057968180 1407762178 /nfs/dbraw/zinc/76/21/78/1407762178.db2.gz SZHMFWSYDUFKSV-UHFFFAOYSA-N 1 3 396.535 3.087 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000176501676 1428341826 /nfs/dbraw/zinc/34/18/26/1428341826.db2.gz LTRRAKJDZKZOAH-HXUWFJFHSA-N 1 3 384.568 3.333 20 30 GGEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868417 1409854660 /nfs/dbraw/zinc/85/46/60/1409854660.db2.gz JQAXXAFUGOSEAI-FQEVSTJZSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868417 1409854661 /nfs/dbraw/zinc/85/46/61/1409854661.db2.gz JQAXXAFUGOSEAI-FQEVSTJZSA-N 1 3 376.504 3.341 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000077566988 1409897497 /nfs/dbraw/zinc/89/74/97/1409897497.db2.gz NKHSYRYQJHLEJN-HXUWFJFHSA-N 1 3 384.568 3.333 20 30 GGEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCC[N@H+](C)C3)sc2C1 ZINC000118842444 1413243137 /nfs/dbraw/zinc/24/31/37/1413243137.db2.gz IFPDUESHRBYNOY-HZPDHXFCSA-N 1 3 388.581 3.347 20 30 GGEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000118842444 1413243147 /nfs/dbraw/zinc/24/31/47/1413243147.db2.gz IFPDUESHRBYNOY-HZPDHXFCSA-N 1 3 388.581 3.347 20 30 GGEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCC[N@H+](C)C3)sc2C1 ZINC000118842446 1413244206 /nfs/dbraw/zinc/24/42/06/1413244206.db2.gz IFPDUESHRBYNOY-JKSUJKDBSA-N 1 3 388.581 3.347 20 30 GGEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000118842446 1413244222 /nfs/dbraw/zinc/24/42/22/1413244222.db2.gz IFPDUESHRBYNOY-JKSUJKDBSA-N 1 3 388.581 3.347 20 30 GGEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[NH+]1CCC(C)CC1 ZINC000121216211 1414047048 /nfs/dbraw/zinc/04/70/48/1414047048.db2.gz XGWZSVZFOVKYPP-UHFFFAOYSA-N 1 3 377.602 3.317 20 30 GGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177511983 1428777475 /nfs/dbraw/zinc/77/74/75/1428777475.db2.gz UOPOMYSIXJGIHD-KDURUIRLSA-N 1 3 398.551 3.098 20 30 GGEDHO CN(c1ccccc1CNCc1ccc(OCC#N)cc1)C1CC[NH+](C)CC1 ZINC000177578133 1428801684 /nfs/dbraw/zinc/80/16/84/1428801684.db2.gz JNLZMTFNKSGPCN-UHFFFAOYSA-N 1 3 378.520 3.409 20 30 GGEDHO C[NH+](C)CCCC1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000123244770 1414677417 /nfs/dbraw/zinc/67/74/17/1414677417.db2.gz FDNKLOZJWSCNIO-LJQANCHMSA-N 1 3 391.519 3.277 20 30 GGEDHO C=CCN1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000178172525 1429006307 /nfs/dbraw/zinc/00/63/07/1429006307.db2.gz AUMJFXNHEQCHAF-OALUTQOASA-N 1 3 384.568 3.093 20 30 GGEDHO N#CCCn1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(-c2ccccc2)n1 ZINC000130410743 1416373544 /nfs/dbraw/zinc/37/35/44/1416373544.db2.gz INFAQIJNHVUZDL-LJQANCHMSA-N 1 3 393.535 3.054 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775052 1429166937 /nfs/dbraw/zinc/16/69/37/1429166937.db2.gz GODILOYQRNRSKW-GGAORHGYSA-N 1 3 396.579 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178775052 1429166944 /nfs/dbraw/zinc/16/69/44/1429166944.db2.gz GODILOYQRNRSKW-GGAORHGYSA-N 1 3 396.579 3.333 20 30 GGEDHO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395552 1429357778 /nfs/dbraw/zinc/35/77/78/1429357778.db2.gz VGPHHIUXMOSBBG-LJQANCHMSA-N 1 3 397.567 3.351 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1 ZINC000171548190 1425729525 /nfs/dbraw/zinc/72/95/25/1425729525.db2.gz PGCYMFHCTJQSBF-UHFFFAOYSA-N 1 3 399.583 3.299 20 30 GGEDHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1ccc2c(c1)CCC2 ZINC000190536730 1432400081 /nfs/dbraw/zinc/40/00/81/1432400081.db2.gz ZPSKPXIEVYKBRV-JOCHJYFZSA-N 1 3 378.520 3.193 20 30 GGEDHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000247487826 1433728626 /nfs/dbraw/zinc/72/86/26/1433728626.db2.gz VKJUSWYQELKVLG-VGOFRKELSA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000247487826 1433728631 /nfs/dbraw/zinc/72/86/31/1433728631.db2.gz VKJUSWYQELKVLG-VGOFRKELSA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000247487816 1433728977 /nfs/dbraw/zinc/72/89/77/1433728977.db2.gz VKJUSWYQELKVLG-HTAPYJJXSA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000247487816 1433728981 /nfs/dbraw/zinc/72/89/81/1433728981.db2.gz VKJUSWYQELKVLG-HTAPYJJXSA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248435638 1433802399 /nfs/dbraw/zinc/80/23/99/1433802399.db2.gz FTDSNISKTACRBD-AVRDEDQJSA-N 1 3 379.504 3.224 20 30 GGEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248435638 1433802400 /nfs/dbraw/zinc/80/24/00/1433802400.db2.gz FTDSNISKTACRBD-AVRDEDQJSA-N 1 3 379.504 3.224 20 30 GGEDHO [NH2+]=C(NCc1cc(Cl)cc2c1OCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000262378787 1433937248 /nfs/dbraw/zinc/93/72/48/1433937248.db2.gz NSLIVXILHFBWHY-UHFFFAOYSA-N 1 3 398.938 3.344 20 30 GGEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N(C)Cc1ccc(Cl)s1 ZINC000262774563 1433955145 /nfs/dbraw/zinc/95/51/45/1433955145.db2.gz ITHJYDMDTUDSNO-UHFFFAOYSA-N 1 3 384.977 3.054 20 30 GGEDHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000264974208 1434170077 /nfs/dbraw/zinc/17/00/77/1434170077.db2.gz RWNCGVWXHQXENK-WOJBJXKFSA-N 1 3 395.551 3.443 20 30 GGEDHO C[NH+](CCCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736793167 599322089 /nfs/dbraw/zinc/32/20/89/599322089.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736793167 599322092 /nfs/dbraw/zinc/32/20/92/599322092.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(C#N)c1 ZINC000736793167 599322095 /nfs/dbraw/zinc/32/20/95/599322095.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(C#N)c1 ZINC000736793167 599322097 /nfs/dbraw/zinc/32/20/97/599322097.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736793167 599322099 /nfs/dbraw/zinc/32/20/99/599322099.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736793167 599322102 /nfs/dbraw/zinc/32/21/02/599322102.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(C#N)c1 ZINC000736793167 599322105 /nfs/dbraw/zinc/32/21/05/599322105.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO C[NH+](CCCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(C#N)c1 ZINC000736793167 599322108 /nfs/dbraw/zinc/32/21/08/599322108.db2.gz SXRUSOCWOVLGRQ-UHFFFAOYSA-N 1 3 389.507 3.082 20 30 GGEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047703134 1404896048 /nfs/dbraw/zinc/89/60/48/1404896048.db2.gz ZFJFHIXUHVKDSB-FQEVSTJZSA-N 1 3 392.547 3.253 20 30 GGEDHO N#CCc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048564567 1405226940 /nfs/dbraw/zinc/22/69/40/1405226940.db2.gz PMMNSVTUSDKZAP-JOCHJYFZSA-N 1 3 385.552 3.080 20 30 GGEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905311 1408948021 /nfs/dbraw/zinc/94/80/21/1408948021.db2.gz XEYYQMNPIYWZRA-HXUWFJFHSA-N 1 3 392.547 3.253 20 30 GGEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868889 1409854447 /nfs/dbraw/zinc/85/44/47/1409854447.db2.gz MSHOCPZUWRNJAJ-OAQYLSRUSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868889 1409854448 /nfs/dbraw/zinc/85/44/48/1409854448.db2.gz MSHOCPZUWRNJAJ-OAQYLSRUSA-N 1 3 376.504 3.341 20 30 GGEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC2(C1)CCCCC2 ZINC000086554712 1410044827 /nfs/dbraw/zinc/04/48/27/1410044827.db2.gz VURSFCSPALZPGC-UHFFFAOYSA-N 1 3 376.589 3.253 20 30 GGEDHO C[N@H+](CCOc1cccc(CNCc2ccc(C#N)cc2)c1)C1CCOCC1 ZINC000102781484 1410750423 /nfs/dbraw/zinc/75/04/23/1410750423.db2.gz KGIFFCANDWWCGS-UHFFFAOYSA-N 1 3 379.504 3.338 20 30 GGEDHO C[N@@H+](CCOc1cccc(CNCc2ccc(C#N)cc2)c1)C1CCOCC1 ZINC000102781484 1410750441 /nfs/dbraw/zinc/75/04/41/1410750441.db2.gz KGIFFCANDWWCGS-UHFFFAOYSA-N 1 3 379.504 3.338 20 30 GGEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(-c2csc(C)n2)s1 ZINC000104158383 1410885943 /nfs/dbraw/zinc/88/59/43/1410885943.db2.gz BRCCKENRXAFXNF-AWEZNQCLSA-N 1 3 377.583 3.111 20 30 GGEDHO COc1ccc(NC(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000104173154 1410886249 /nfs/dbraw/zinc/88/62/49/1410886249.db2.gz YIGWGKRSGRFJEZ-UHFFFAOYSA-N 1 3 395.551 3.020 20 30 GGEDHO C#CCCOc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000113325231 1412292268 /nfs/dbraw/zinc/29/22/68/1412292268.db2.gz MHZXCKRHGFRUSE-UHFFFAOYSA-N 1 3 377.532 3.126 20 30 GGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000177508777 1428775226 /nfs/dbraw/zinc/77/52/26/1428775226.db2.gz XDSGGPLWOYEDNK-RTBURBONSA-N 1 3 398.551 3.098 20 30 GGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177508744 1428775401 /nfs/dbraw/zinc/77/54/01/1428775401.db2.gz XDSGGPLWOYEDNK-KDURUIRLSA-N 1 3 398.551 3.098 20 30 GGEDHO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126681384 1415525076 /nfs/dbraw/zinc/52/50/76/1415525076.db2.gz UTCRSQTYWAHOSJ-FQEVSTJZSA-N 1 3 377.532 3.297 20 30 GGEDHO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126681593 1415525505 /nfs/dbraw/zinc/52/55/05/1415525505.db2.gz UTCRSQTYWAHOSJ-HXUWFJFHSA-N 1 3 377.532 3.297 20 30 GGEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000129652555 1416243528 /nfs/dbraw/zinc/24/35/28/1416243528.db2.gz CCWNJNAZJBFCGT-WLXPTCNVSA-N 1 3 375.516 3.357 20 30 GGEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000129652555 1416243535 /nfs/dbraw/zinc/24/35/35/1416243535.db2.gz CCWNJNAZJBFCGT-WLXPTCNVSA-N 1 3 375.516 3.357 20 30 GGEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000129652369 1416243664 /nfs/dbraw/zinc/24/36/64/1416243664.db2.gz CCWNJNAZJBFCGT-NSQNTRMNSA-N 1 3 375.516 3.357 20 30 GGEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000129652369 1416243667 /nfs/dbraw/zinc/24/36/67/1416243667.db2.gz CCWNJNAZJBFCGT-NSQNTRMNSA-N 1 3 375.516 3.357 20 30 GGEDHO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395540 1429357443 /nfs/dbraw/zinc/35/74/43/1429357443.db2.gz VGPHHIUXMOSBBG-IBGZPJMESA-N 1 3 397.567 3.351 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000160084850 1424572524 /nfs/dbraw/zinc/57/25/24/1424572524.db2.gz SDDDRUVIOHQDSE-JOCHJYFZSA-N 1 3 384.568 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000171709495 1425798428 /nfs/dbraw/zinc/79/84/28/1425798428.db2.gz XNRPYLNPODYKOS-UHFFFAOYSA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000172584947 1426099543 /nfs/dbraw/zinc/09/95/43/1426099543.db2.gz BKHYVRFSBLHZAE-UGKGYDQZSA-N 1 3 384.568 3.331 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000172584947 1426099547 /nfs/dbraw/zinc/09/95/47/1426099547.db2.gz BKHYVRFSBLHZAE-UGKGYDQZSA-N 1 3 384.568 3.331 20 30 GGEDHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181541439 1430317776 /nfs/dbraw/zinc/31/77/76/1430317776.db2.gz RZXZURMPKICZBB-IBGZPJMESA-N 1 3 378.520 3.187 20 30 GGEDHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000181973982 1430390694 /nfs/dbraw/zinc/39/06/94/1430390694.db2.gz UNECFAQVNDAKHB-GOSISDBHSA-N 1 3 376.504 3.235 20 30 GGEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000182225260 1430433064 /nfs/dbraw/zinc/43/30/64/1430433064.db2.gz BGAKQPJIQHBANA-XMSQKQJNSA-N 1 3 379.504 3.396 20 30 GGEDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000182225260 1430433069 /nfs/dbraw/zinc/43/30/69/1430433069.db2.gz BGAKQPJIQHBANA-XMSQKQJNSA-N 1 3 379.504 3.396 20 30 GGEDHO CN1CCN(c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000182638220 1430507280 /nfs/dbraw/zinc/50/72/80/1430507280.db2.gz RMHYPHXZRMYNDM-UHFFFAOYSA-N 1 3 389.547 3.387 20 30 GGEDHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000184753393 1430966633 /nfs/dbraw/zinc/96/66/33/1430966633.db2.gz NZAIJHDKZSRLBG-OALUTQOASA-N 1 3 382.552 3.075 20 30 GGEDHO C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189969064 1432292259 /nfs/dbraw/zinc/29/22/59/1432292259.db2.gz GLBMPLLTYNYFFU-LJQANCHMSA-N 1 3 382.552 3.323 20 30 GGEDHO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343983 1433321021 /nfs/dbraw/zinc/32/10/21/1433321021.db2.gz BTJPYAPVUCIIQP-UHFFFAOYSA-N 1 3 399.539 3.026 20 30 GGEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000237493846 1433406086 /nfs/dbraw/zinc/40/60/86/1433406086.db2.gz QYMHDVXWTVDTEO-IBGZPJMESA-N 1 3 378.520 3.015 20 30 GGEDHO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000237598621 1433411865 /nfs/dbraw/zinc/41/18/65/1433411865.db2.gz QYMHDVXWTVDTEO-LJQANCHMSA-N 1 3 378.520 3.015 20 30 GGEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCC[N@H+](C)C3)sc2C1 ZINC000246127929 1433572302 /nfs/dbraw/zinc/57/23/02/1433572302.db2.gz IFPDUESHRBYNOY-HOTGVXAUSA-N 1 3 388.581 3.347 20 30 GGEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000246127929 1433572304 /nfs/dbraw/zinc/57/23/04/1433572304.db2.gz IFPDUESHRBYNOY-HOTGVXAUSA-N 1 3 388.581 3.347 20 30 GGEDHO C=CCN1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246582219 1433634835 /nfs/dbraw/zinc/63/48/35/1433634835.db2.gz AUMJFXNHEQCHAF-NGRWLJPCSA-N 1 3 384.568 3.093 20 30 GGEDHO C=CCN1CCC(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246582219 1433634838 /nfs/dbraw/zinc/63/48/38/1433634838.db2.gz AUMJFXNHEQCHAF-NGRWLJPCSA-N 1 3 384.568 3.093 20 30 GGEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCN(Cc2ccccc2)CC1 ZINC000262464590 1433940226 /nfs/dbraw/zinc/94/02/26/1433940226.db2.gz YCMCHJDCCNGWTA-PWRODBHTSA-N 1 3 384.568 3.020 20 30 GGEDHO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262483768 1433941036 /nfs/dbraw/zinc/94/10/36/1433941036.db2.gz SCKUSDURQHLZNM-RBUKOAKNSA-N 1 3 389.613 3.021 20 30 GGEDHO [NH2+]=C(NC[C@@H]1CCOc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000262513870 1433942031 /nfs/dbraw/zinc/94/20/31/1433942031.db2.gz FMHUMMXLNYQJFT-IBGZPJMESA-N 1 3 378.520 3.122 20 30 GGEDHO [NH2+]=C(NCc1ccc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000263004787 1433975825 /nfs/dbraw/zinc/97/58/25/1433975825.db2.gz XTUHAVXJFCDYEX-UHFFFAOYSA-N 1 3 377.536 3.029 20 30 GGEDHO [NH2+]=C(NC[C@H]1CSc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000263061225 1433981685 /nfs/dbraw/zinc/98/16/85/1433981685.db2.gz FNMHXYCERNDDNO-SFHVURJKSA-N 1 3 380.561 3.445 20 30 GGEDHO C[C@H]1CN(CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000264974206 1434169984 /nfs/dbraw/zinc/16/99/84/1434169984.db2.gz RWNCGVWXHQXENK-PMACEKPBSA-N 1 3 395.551 3.443 20 30 GGEDHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000264974204 1434170130 /nfs/dbraw/zinc/17/01/30/1434170130.db2.gz RWNCGVWXHQXENK-BGYRXZFFSA-N 1 3 395.551 3.443 20 30 GGEDHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839617 1435429538 /nfs/dbraw/zinc/42/95/38/1435429538.db2.gz USJKWHHBTXRUFJ-DHIUTWEWSA-N 1 3 390.531 3.496 20 30 GGEDHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839617 1435429541 /nfs/dbraw/zinc/42/95/41/1435429541.db2.gz USJKWHHBTXRUFJ-DHIUTWEWSA-N 1 3 390.531 3.496 20 30 GGEDHO C=CCOc1c(Br)cc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000271776992 565267778 /nfs/dbraw/zinc/26/77/78/565267778.db2.gz CRVMSBGIWUDRBO-UHFFFAOYSA-N 1 3 381.314 3.374 20 30 GGEDHO C=CCOc1c(Br)cc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271776992 565267784 /nfs/dbraw/zinc/26/77/84/565267784.db2.gz CRVMSBGIWUDRBO-UHFFFAOYSA-N 1 3 381.314 3.374 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046313650 1404360095 /nfs/dbraw/zinc/36/00/95/1404360095.db2.gz WGBHUBKRNNVDGJ-JOCHJYFZSA-N 1 3 399.583 3.142 20 30 GGEDHO CCN1CCN(CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000060975881 1408059969 /nfs/dbraw/zinc/05/99/69/1408059969.db2.gz UUXVSKUUKJDWKW-UHFFFAOYSA-N 1 3 392.547 3.254 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000176501692 1428341805 /nfs/dbraw/zinc/34/18/05/1428341805.db2.gz LTRRAKJDZKZOAH-FQEVSTJZSA-N 1 3 384.568 3.333 20 30 GGEDHO CCN1CCN(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905289 1408947763 /nfs/dbraw/zinc/94/77/63/1408947763.db2.gz PFGCPXLQEMWPAA-UHFFFAOYSA-N 1 3 392.547 3.254 20 30 GGEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868418 1409854302 /nfs/dbraw/zinc/85/43/02/1409854302.db2.gz JQAXXAFUGOSEAI-HXUWFJFHSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1ccccc1C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868418 1409854305 /nfs/dbraw/zinc/85/43/05/1409854305.db2.gz JQAXXAFUGOSEAI-HXUWFJFHSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869300 1409854334 /nfs/dbraw/zinc/85/43/34/1409854334.db2.gz DZNZNWNAMYZWJL-NRFANRHFSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869300 1409854337 /nfs/dbraw/zinc/85/43/37/1409854337.db2.gz DZNZNWNAMYZWJL-NRFANRHFSA-N 1 3 376.504 3.341 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000080677145 1410010215 /nfs/dbraw/zinc/01/02/15/1410010215.db2.gz YVAKBZPFXUBLSU-QFIPXVFZSA-N 1 3 384.568 3.333 20 30 GGEDHO C=CCc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092587196 1410176470 /nfs/dbraw/zinc/17/64/70/1410176470.db2.gz AXJKUJCPYROXRJ-ROUUACIJSA-N 1 3 388.552 3.451 20 30 GGEDHO C=CCc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1O ZINC000092587197 1410177304 /nfs/dbraw/zinc/17/73/04/1410177304.db2.gz AXJKUJCPYROXRJ-QZTJIDSGSA-N 1 3 388.552 3.451 20 30 GGEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(-c2csc(C)n2)s1 ZINC000104158380 1410885889 /nfs/dbraw/zinc/88/58/89/1410885889.db2.gz BRCCKENRXAFXNF-CQSZACIVSA-N 1 3 377.583 3.111 20 30 GGEDHO CCOc1ccc(Oc2cc(CNC(=[NH2+])NC[C@@H]3CCCN3CC)ccn2)cc1 ZINC000104164787 1410886170 /nfs/dbraw/zinc/88/61/70/1410886170.db2.gz AUDVMYUEYLMLKZ-SFHVURJKSA-N 1 3 397.523 3.161 20 30 GGEDHO C=CCN(CC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112214811 1412094423 /nfs/dbraw/zinc/09/44/23/1412094423.db2.gz PBAXSNJGRCWUBZ-UHFFFAOYSA-N 1 3 376.589 3.323 20 30 GGEDHO C#CCCOc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000113337663 1412293879 /nfs/dbraw/zinc/29/38/79/1412293879.db2.gz KWGZUDMVNHAAAS-UHFFFAOYSA-N 1 3 378.516 3.335 20 30 GGEDHO C=C(C)COc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120074333 1413676562 /nfs/dbraw/zinc/67/65/62/1413676562.db2.gz RJBXNTDMIDYJCX-UHFFFAOYSA-N 1 3 386.540 3.322 20 30 GGEDHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177511996 1428777263 /nfs/dbraw/zinc/77/72/63/1428777263.db2.gz UOPOMYSIXJGIHD-OALUTQOASA-N 1 3 398.551 3.098 20 30 GGEDHO C=C(C)COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC ZINC000126029481 1415340327 /nfs/dbraw/zinc/34/03/27/1415340327.db2.gz WRSGADPUXFGVHD-UHFFFAOYSA-N 1 3 387.568 3.298 20 30 GGEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000127526803 1415804886 /nfs/dbraw/zinc/80/48/86/1415804886.db2.gz UGZLIWDHICXELH-UHFFFAOYSA-N 1 3 375.516 3.357 20 30 GGEDHO C=CCOc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000131889442 1416642831 /nfs/dbraw/zinc/64/28/31/1416642831.db2.gz GXDIGZIBUDZECC-UHFFFAOYSA-N 1 3 387.568 3.167 20 30 GGEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000179392299 1429356029 /nfs/dbraw/zinc/35/60/29/1429356029.db2.gz XBMNRZJXHKTORL-UHFFFAOYSA-N 1 3 397.567 3.305 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171709529 1425798293 /nfs/dbraw/zinc/79/82/93/1425798293.db2.gz LORHQDCWDWOLBQ-IBGZPJMESA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171709529 1425798299 /nfs/dbraw/zinc/79/82/99/1425798299.db2.gz LORHQDCWDWOLBQ-IBGZPJMESA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000171738553 1425807464 /nfs/dbraw/zinc/80/74/64/1425807464.db2.gz WWBIPEUSWVPKMK-UHFFFAOYSA-N 1 3 378.948 3.064 20 30 GGEDHO C=CCN1CCC(NC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000173200217 1426389742 /nfs/dbraw/zinc/38/97/42/1426389742.db2.gz OCTLRYAUYYPAAX-OAQYLSRUSA-N 1 3 384.568 3.190 20 30 GGEDHO C=CCN1CCC(NC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000173200217 1426389751 /nfs/dbraw/zinc/38/97/51/1426389751.db2.gz OCTLRYAUYYPAAX-OAQYLSRUSA-N 1 3 384.568 3.190 20 30 GGEDHO C#CCN1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000174288710 1427087154 /nfs/dbraw/zinc/08/71/54/1427087154.db2.gz XHNGGBOPXFKPDT-UHFFFAOYSA-N 1 3 393.575 3.379 20 30 GGEDHO C#CCN1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000174288710 1427087159 /nfs/dbraw/zinc/08/71/59/1427087159.db2.gz XHNGGBOPXFKPDT-UHFFFAOYSA-N 1 3 393.575 3.379 20 30 GGEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176245803 1428192004 /nfs/dbraw/zinc/19/20/04/1428192004.db2.gz VOWFJNCZDZMNPF-OAQYLSRUSA-N 1 3 382.552 3.103 20 30 GGEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176245803 1428192022 /nfs/dbraw/zinc/19/20/22/1428192022.db2.gz VOWFJNCZDZMNPF-OAQYLSRUSA-N 1 3 382.552 3.103 20 30 GGEDHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000181541459 1430317759 /nfs/dbraw/zinc/31/77/59/1430317759.db2.gz RZXZURMPKICZBB-LJQANCHMSA-N 1 3 378.520 3.187 20 30 GGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000184747716 1430964099 /nfs/dbraw/zinc/96/40/99/1430964099.db2.gz OLCFUIRMOMMJHV-WOJBJXKFSA-N 1 3 396.579 3.417 20 30 GGEDHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000184747695 1430964419 /nfs/dbraw/zinc/96/44/19/1430964419.db2.gz OLCFUIRMOMMJHV-PMACEKPBSA-N 1 3 396.579 3.417 20 30 GGEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1ccc2c(c1)CCC2 ZINC000190536754 1432400124 /nfs/dbraw/zinc/40/01/24/1432400124.db2.gz ZPSKPXIEVYKBRV-QFIPXVFZSA-N 1 3 378.520 3.193 20 30 GGEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000195343354 1433321197 /nfs/dbraw/zinc/32/11/97/1433321197.db2.gz XJRXNPLHXQNZSQ-UHFFFAOYSA-N 1 3 383.540 3.168 20 30 GGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248399195 1433796556 /nfs/dbraw/zinc/79/65/56/1433796556.db2.gz OLCFUIRMOMMJHV-NPHXMPSESA-N 1 3 396.579 3.417 20 30 GGEDHO C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000262428527 1433938582 /nfs/dbraw/zinc/93/85/82/1433938582.db2.gz DHAVKWBTLYGPOM-ZDUSSCGKSA-N 1 3 385.375 3.146 20 30 GGEDHO C[NH+]=C(NCc1csc(Br)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000262441175 1433939032 /nfs/dbraw/zinc/93/90/32/1433939032.db2.gz HOWGRGAUJAOVQQ-AWEZNQCLSA-N 1 3 385.375 3.146 20 30 GGEDHO C=CCN1CCC(Nc2nc(NC3CC[NH+](CC=C)CC3)ccc2C#N)CC1 ZINC000276492659 1435214221 /nfs/dbraw/zinc/21/42/21/1435214221.db2.gz QFHRRYIZRQPYAT-UHFFFAOYSA-N 1 3 380.540 3.078 20 30 GGEDHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424198915 566519549 /nfs/dbraw/zinc/51/95/49/566519549.db2.gz YMSKDEJHDZELCX-QGZVFWFLSA-N 1 3 385.339 3.295 20 30 GGEDHO CC(C)OCC[NH+]1CCC(NCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000176748928 1428447215 /nfs/dbraw/zinc/44/72/15/1428447215.db2.gz SZQLBDHMMLLVBB-UHFFFAOYSA-N 1 3 395.551 3.443 20 30 GGEDHO CCOc1ccc(Oc2cc(CNC(=[NH2+])NC[C@H]3CCCN3CC)ccn2)cc1 ZINC000104164780 1410886199 /nfs/dbraw/zinc/88/61/99/1410886199.db2.gz AUDVMYUEYLMLKZ-GOSISDBHSA-N 1 3 397.523 3.161 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000106328715 1411196413 /nfs/dbraw/zinc/19/64/13/1411196413.db2.gz JCRMABDVMMEHBT-GOSISDBHSA-N 1 3 376.570 3.225 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000110734303 1411867148 /nfs/dbraw/zinc/86/71/48/1411867148.db2.gz PVZHXUXPJFVCKC-FQEVSTJZSA-N 1 3 383.580 3.486 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000110734306 1411867294 /nfs/dbraw/zinc/86/72/94/1411867294.db2.gz PVZHXUXPJFVCKC-HXUWFJFHSA-N 1 3 383.580 3.486 20 30 GGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177481997 1428761634 /nfs/dbraw/zinc/76/16/34/1428761634.db2.gz VZZDCQSEAYSLLW-KDURUIRLSA-N 1 3 398.551 3.098 20 30 GGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128211918 1415940281 /nfs/dbraw/zinc/94/02/81/1415940281.db2.gz DIHBWCGUQYXBNE-WMZOPIPTSA-N 1 3 379.932 3.056 20 30 GGEDHO N#CCCn1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(-c2ccccc2)n1 ZINC000130410534 1416373658 /nfs/dbraw/zinc/37/36/58/1416373658.db2.gz INFAQIJNHVUZDL-IBGZPJMESA-N 1 3 393.535 3.054 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775075 1429167109 /nfs/dbraw/zinc/16/71/09/1429167109.db2.gz GODILOYQRNRSKW-GMAHTHKFSA-N 1 3 396.579 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178775075 1429167112 /nfs/dbraw/zinc/16/71/12/1429167112.db2.gz GODILOYQRNRSKW-GMAHTHKFSA-N 1 3 396.579 3.333 20 30 GGEDHO Cn1cc(CNCc2ccc(OCC[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180058394 1429717405 /nfs/dbraw/zinc/71/74/05/1429717405.db2.gz AUCLSJFOMDGLJP-UHFFFAOYSA-N 1 3 389.503 3.189 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000171709486 1425798480 /nfs/dbraw/zinc/79/84/80/1425798480.db2.gz LAHGLZCLVAOZRJ-UHFFFAOYSA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000171733586 1425806293 /nfs/dbraw/zinc/80/62/93/1425806293.db2.gz YZNCGAVRZQBCFN-UHFFFAOYSA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000173200231 1426389677 /nfs/dbraw/zinc/38/96/77/1426389677.db2.gz OCTLRYAUYYPAAX-NRFANRHFSA-N 1 3 384.568 3.190 20 30 GGEDHO C=CCN1CCC(NC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000173200231 1426389684 /nfs/dbraw/zinc/38/96/84/1426389684.db2.gz OCTLRYAUYYPAAX-NRFANRHFSA-N 1 3 384.568 3.190 20 30 GGEDHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069612 1426985864 /nfs/dbraw/zinc/98/58/64/1426985864.db2.gz VKJUSWYQELKVLG-VGSWGCGISA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069612 1426985868 /nfs/dbraw/zinc/98/58/68/1426985868.db2.gz VKJUSWYQELKVLG-VGSWGCGISA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069598 1426985938 /nfs/dbraw/zinc/98/59/38/1426985938.db2.gz VKJUSWYQELKVLG-JTSKRJEESA-N 1 3 376.504 3.106 20 30 GGEDHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069598 1426985942 /nfs/dbraw/zinc/98/59/42/1426985942.db2.gz VKJUSWYQELKVLG-JTSKRJEESA-N 1 3 376.504 3.106 20 30 GGEDHO COc1cc(C#N)ccc1OCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174400513 1427139445 /nfs/dbraw/zinc/13/94/45/1427139445.db2.gz CWONEFSBZQTJMU-OAQYLSRUSA-N 1 3 379.504 3.400 20 30 GGEDHO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174400513 1427139452 /nfs/dbraw/zinc/13/94/52/1427139452.db2.gz CWONEFSBZQTJMU-OAQYLSRUSA-N 1 3 379.504 3.400 20 30 GGEDHO CN(CCC#N)c1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175017311 1427501306 /nfs/dbraw/zinc/50/13/06/1427501306.db2.gz RTMWEWIHXQYOOP-UHFFFAOYSA-N 1 3 392.547 3.283 20 30 GGEDHO CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000175017311 1427501310 /nfs/dbraw/zinc/50/13/10/1427501310.db2.gz RTMWEWIHXQYOOP-UHFFFAOYSA-N 1 3 392.547 3.283 20 30 GGEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180984328 1430151937 /nfs/dbraw/zinc/15/19/37/1430151937.db2.gz FTDSNISKTACRBD-PGRDOPGGSA-N 1 3 379.504 3.224 20 30 GGEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180984328 1430151941 /nfs/dbraw/zinc/15/19/41/1430151941.db2.gz FTDSNISKTACRBD-PGRDOPGGSA-N 1 3 379.504 3.224 20 30 GGEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180984345 1430152529 /nfs/dbraw/zinc/15/25/29/1430152529.db2.gz FTDSNISKTACRBD-XMSQKQJNSA-N 1 3 379.504 3.224 20 30 GGEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180984345 1430152531 /nfs/dbraw/zinc/15/25/31/1430152531.db2.gz FTDSNISKTACRBD-XMSQKQJNSA-N 1 3 379.504 3.224 20 30 GGEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180987345 1430153614 /nfs/dbraw/zinc/15/36/14/1430153614.db2.gz VYAVTSGJZJSCHG-QHCPKHFHSA-N 1 3 378.516 3.335 20 30 GGEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000180987345 1430153623 /nfs/dbraw/zinc/15/36/23/1430153623.db2.gz VYAVTSGJZJSCHG-QHCPKHFHSA-N 1 3 378.516 3.335 20 30 GGEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180987321 1430153707 /nfs/dbraw/zinc/15/37/07/1430153707.db2.gz VYAVTSGJZJSCHG-HSZRJFAPSA-N 1 3 378.516 3.335 20 30 GGEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180987321 1430153715 /nfs/dbraw/zinc/15/37/15/1430153715.db2.gz VYAVTSGJZJSCHG-HSZRJFAPSA-N 1 3 378.516 3.335 20 30 GGEDHO N#CCCCOc1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180994581 1430157081 /nfs/dbraw/zinc/15/70/81/1430157081.db2.gz MOAOFGXEAMHYLV-QFIPXVFZSA-N 1 3 379.504 3.226 20 30 GGEDHO N#CCCCOc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000180994581 1430157086 /nfs/dbraw/zinc/15/70/86/1430157086.db2.gz MOAOFGXEAMHYLV-QFIPXVFZSA-N 1 3 379.504 3.226 20 30 GGEDHO N#CCCCOc1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180994601 1430157297 /nfs/dbraw/zinc/15/72/97/1430157297.db2.gz MOAOFGXEAMHYLV-JOCHJYFZSA-N 1 3 379.504 3.226 20 30 GGEDHO N#CCCCOc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000180994601 1430157301 /nfs/dbraw/zinc/15/73/01/1430157301.db2.gz MOAOFGXEAMHYLV-JOCHJYFZSA-N 1 3 379.504 3.226 20 30 GGEDHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616172 1430328367 /nfs/dbraw/zinc/32/83/67/1430328367.db2.gz DFCNPUQAQPVAFL-PMACEKPBSA-N 1 3 384.568 3.002 20 30 GGEDHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181860338 1430373313 /nfs/dbraw/zinc/37/33/13/1430373313.db2.gz CFEZNBHCCDTVLF-SFHVURJKSA-N 1 3 379.504 3.396 20 30 GGEDHO C[NH+]=C(NCc1csc(Br)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262441177 1433939184 /nfs/dbraw/zinc/93/91/84/1433939184.db2.gz HOWGRGAUJAOVQQ-CQSZACIVSA-N 1 3 385.375 3.146 20 30 GGEDHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424198913 566520031 /nfs/dbraw/zinc/52/00/31/566520031.db2.gz YMSKDEJHDZELCX-KRWDZBQOSA-N 1 3 385.339 3.295 20 30 GGEDHO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760507 1405861496 /nfs/dbraw/zinc/86/14/96/1405861496.db2.gz PZJWEQQMXPCOOC-UHFFFAOYSA-N 1 3 397.567 3.038 20 30 GGEDHO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000064026394 1408469378 /nfs/dbraw/zinc/46/93/78/1408469378.db2.gz JNUNZMOFDYIWFP-UHFFFAOYSA-N 1 3 390.531 3.358 20 30 GGEDHO C#CCN1CCC(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000068484539 1409415586 /nfs/dbraw/zinc/41/55/86/1409415586.db2.gz YRZDWSBFQJXSBE-UHFFFAOYSA-N 1 3 395.591 3.183 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000077566991 1409897459 /nfs/dbraw/zinc/89/74/59/1409897459.db2.gz NKHSYRYQJHLEJN-FQEVSTJZSA-N 1 3 384.568 3.333 20 30 GGEDHO C=CCc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092587195 1410176187 /nfs/dbraw/zinc/17/61/87/1410176187.db2.gz AXJKUJCPYROXRJ-HDICACEKSA-N 1 3 388.552 3.451 20 30 GGEDHO C=CCc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092587195 1410176195 /nfs/dbraw/zinc/17/61/95/1410176195.db2.gz AXJKUJCPYROXRJ-HDICACEKSA-N 1 3 388.552 3.451 20 30 GGEDHO COc1ccc(NC(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000104170684 1410886221 /nfs/dbraw/zinc/88/62/21/1410886221.db2.gz FZAJMPBXKXXCGR-UHFFFAOYSA-N 1 3 381.524 3.024 20 30 GGEDHO C#CCN1CCC(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000110762530 1411868532 /nfs/dbraw/zinc/86/85/32/1411868532.db2.gz UZNMKFYBMNTWCS-UHFFFAOYSA-N 1 3 387.955 3.110 20 30 GGEDHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177482013 1428761600 /nfs/dbraw/zinc/76/16/00/1428761600.db2.gz VZZDCQSEAYSLLW-OALUTQOASA-N 1 3 398.551 3.098 20 30 GGEDHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177508758 1428775062 /nfs/dbraw/zinc/77/50/62/1428775062.db2.gz XDSGGPLWOYEDNK-OALUTQOASA-N 1 3 398.551 3.098 20 30 GGEDHO CC(C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000122258685 1414404045 /nfs/dbraw/zinc/40/40/45/1414404045.db2.gz DNYSSCVRPNNFCD-UHFFFAOYSA-N 1 3 399.539 3.026 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000177868899 1428878318 /nfs/dbraw/zinc/87/83/18/1428878318.db2.gz PNBMWRWKTZLJNL-IBGZPJMESA-N 1 3 376.589 3.323 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000177868899 1428878321 /nfs/dbraw/zinc/87/83/21/1428878321.db2.gz PNBMWRWKTZLJNL-IBGZPJMESA-N 1 3 376.589 3.323 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178169466 1429005460 /nfs/dbraw/zinc/00/54/60/1429005460.db2.gz QYDYBTKHVRZAMS-OAQYLSRUSA-N 1 3 382.552 3.103 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178169466 1429005465 /nfs/dbraw/zinc/00/54/65/1429005465.db2.gz QYDYBTKHVRZAMS-OAQYLSRUSA-N 1 3 382.552 3.103 20 30 GGEDHO CN(c1ccccc1CNCc1cccc(OCC#N)c1)C1CC[NH+](C)CC1 ZINC000150896894 1417830072 /nfs/dbraw/zinc/83/00/72/1417830072.db2.gz QEUYEWXAJBSLIQ-UHFFFAOYSA-N 1 3 378.520 3.409 20 30 GGEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000155716266 1423502243 /nfs/dbraw/zinc/50/22/43/1423502243.db2.gz FFPWBQVBDRKBBX-UHFFFAOYSA-N 1 3 376.589 3.325 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000171552849 1425731605 /nfs/dbraw/zinc/73/16/05/1425731605.db2.gz MWUMRGRAIHPYTA-UHFFFAOYSA-N 1 3 384.568 3.163 20 30 GGEDHO C=CCN1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171717051 1425801476 /nfs/dbraw/zinc/80/14/76/1425801476.db2.gz UDRJXCXYWXISDD-FQEVSTJZSA-N 1 3 395.469 3.208 20 30 GGEDHO C=CCN1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171717051 1425801478 /nfs/dbraw/zinc/80/14/78/1425801478.db2.gz UDRJXCXYWXISDD-FQEVSTJZSA-N 1 3 395.469 3.208 20 30 GGEDHO C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000171721670 1425803527 /nfs/dbraw/zinc/80/35/27/1425803527.db2.gz CYMZIHKNSVECFI-QFIPXVFZSA-N 1 3 384.568 3.409 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000171737853 1425807487 /nfs/dbraw/zinc/80/74/87/1425807487.db2.gz CGTSKBBDVMSEAC-UHFFFAOYSA-N 1 3 384.568 3.190 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000171737853 1425807491 /nfs/dbraw/zinc/80/74/91/1425807491.db2.gz CGTSKBBDVMSEAC-UHFFFAOYSA-N 1 3 384.568 3.190 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000172584942 1426098260 /nfs/dbraw/zinc/09/82/60/1426098260.db2.gz BKHYVRFSBLHZAE-SIKLNZKXSA-N 1 3 384.568 3.331 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000172584942 1426098267 /nfs/dbraw/zinc/09/82/67/1426098267.db2.gz BKHYVRFSBLHZAE-SIKLNZKXSA-N 1 3 384.568 3.331 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000172584945 1426098982 /nfs/dbraw/zinc/09/89/82/1426098982.db2.gz BKHYVRFSBLHZAE-KNQAVFIVSA-N 1 3 384.568 3.331 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000172584945 1426098990 /nfs/dbraw/zinc/09/89/90/1426098990.db2.gz BKHYVRFSBLHZAE-KNQAVFIVSA-N 1 3 384.568 3.331 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176009161 1428025335 /nfs/dbraw/zinc/02/53/35/1428025335.db2.gz VTTQJMLZHJXQBF-UHFFFAOYSA-N 1 3 397.567 3.038 20 30 GGEDHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616156 1430328462 /nfs/dbraw/zinc/32/84/62/1430328462.db2.gz DFCNPUQAQPVAFL-BGYRXZFFSA-N 1 3 384.568 3.002 20 30 GGEDHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181974109 1430390530 /nfs/dbraw/zinc/39/05/30/1430390530.db2.gz NPTCKORQXAOPNP-GOSISDBHSA-N 1 3 376.504 3.235 20 30 GGEDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000182225240 1430432953 /nfs/dbraw/zinc/43/29/53/1430432953.db2.gz BGAKQPJIQHBANA-PGRDOPGGSA-N 1 3 379.504 3.396 20 30 GGEDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000182225240 1430432956 /nfs/dbraw/zinc/43/29/56/1430432956.db2.gz BGAKQPJIQHBANA-PGRDOPGGSA-N 1 3 379.504 3.396 20 30 GGEDHO C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189969048 1432292317 /nfs/dbraw/zinc/29/23/17/1432292317.db2.gz GLBMPLLTYNYFFU-IBGZPJMESA-N 1 3 382.552 3.323 20 30 GGEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCC[N@H+](C)C3)sc2C1 ZINC000246127919 1433572442 /nfs/dbraw/zinc/57/24/42/1433572442.db2.gz IFPDUESHRBYNOY-CVEARBPZSA-N 1 3 388.581 3.347 20 30 GGEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000246127919 1433572447 /nfs/dbraw/zinc/57/24/47/1433572447.db2.gz IFPDUESHRBYNOY-CVEARBPZSA-N 1 3 388.581 3.347 20 30 GGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000248398895 1433796405 /nfs/dbraw/zinc/79/64/05/1433796405.db2.gz NZAIJHDKZSRLBG-NGRWLJPCSA-N 1 3 382.552 3.075 20 30 GGEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248435639 1433802337 /nfs/dbraw/zinc/80/23/37/1433802337.db2.gz FTDSNISKTACRBD-GCJKJVERSA-N 1 3 379.504 3.224 20 30 GGEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248435639 1433802338 /nfs/dbraw/zinc/80/23/38/1433802338.db2.gz FTDSNISKTACRBD-GCJKJVERSA-N 1 3 379.504 3.224 20 30 GGEDHO C[NH+]=C(NCCc1ccc(Br)s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262439224 1433939162 /nfs/dbraw/zinc/93/91/62/1433939162.db2.gz HEFJDMQVGSHTNG-CQSZACIVSA-N 1 3 399.402 3.189 20 30 GGEDHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839621 1435429433 /nfs/dbraw/zinc/42/94/33/1435429433.db2.gz USJKWHHBTXRUFJ-PKTZIBPZSA-N 1 3 390.531 3.496 20 30 GGEDHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839621 1435429434 /nfs/dbraw/zinc/42/94/34/1435429434.db2.gz USJKWHHBTXRUFJ-PKTZIBPZSA-N 1 3 390.531 3.496 20 30 GGEDHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839619 1435429446 /nfs/dbraw/zinc/42/94/46/1435429446.db2.gz USJKWHHBTXRUFJ-GOTSBHOMSA-N 1 3 390.531 3.496 20 30 GGEDHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839619 1435429450 /nfs/dbraw/zinc/42/94/50/1435429450.db2.gz USJKWHHBTXRUFJ-GOTSBHOMSA-N 1 3 390.531 3.496 20 30 GGEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905310 1408947815 /nfs/dbraw/zinc/94/78/15/1408947815.db2.gz XEYYQMNPIYWZRA-FQEVSTJZSA-N 1 3 392.547 3.253 20 30 GGEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868885 1409854624 /nfs/dbraw/zinc/85/46/24/1409854624.db2.gz MSHOCPZUWRNJAJ-NRFANRHFSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868885 1409854626 /nfs/dbraw/zinc/85/46/26/1409854626.db2.gz MSHOCPZUWRNJAJ-NRFANRHFSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869305 1409854679 /nfs/dbraw/zinc/85/46/79/1409854679.db2.gz DZNZNWNAMYZWJL-OAQYLSRUSA-N 1 3 376.504 3.341 20 30 GGEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869305 1409854681 /nfs/dbraw/zinc/85/46/81/1409854681.db2.gz DZNZNWNAMYZWJL-OAQYLSRUSA-N 1 3 376.504 3.341 20 30 GGEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000073215918 1409859070 /nfs/dbraw/zinc/85/90/70/1409859070.db2.gz WMROUEZPXNTRLB-UXHICEINSA-N 1 3 376.589 3.323 20 30 GGEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000073215918 1409859071 /nfs/dbraw/zinc/85/90/71/1409859071.db2.gz WMROUEZPXNTRLB-UXHICEINSA-N 1 3 376.589 3.323 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000080677138 1410010192 /nfs/dbraw/zinc/01/01/92/1410010192.db2.gz YVAKBZPFXUBLSU-JOCHJYFZSA-N 1 3 384.568 3.333 20 30 GGEDHO C[N@H+](CCOc1cccc(CNCc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000102781490 1410750688 /nfs/dbraw/zinc/75/06/88/1410750688.db2.gz NYKFOXNCJQDSFR-UHFFFAOYSA-N 1 3 379.504 3.338 20 30 GGEDHO C[N@@H+](CCOc1cccc(CNCc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000102781490 1410750707 /nfs/dbraw/zinc/75/07/07/1410750707.db2.gz NYKFOXNCJQDSFR-UHFFFAOYSA-N 1 3 379.504 3.338 20 30 GGEDHO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000104181853 1410886476 /nfs/dbraw/zinc/88/64/76/1410886476.db2.gz ZJPRAKRVGFSYMN-UHFFFAOYSA-N 1 3 381.524 3.028 20 30 GGEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495349 1411071908 /nfs/dbraw/zinc/07/19/08/1411071908.db2.gz UYMUDCKDDBOFSA-GOSISDBHSA-N 1 3 379.504 3.224 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000106328712 1411196321 /nfs/dbraw/zinc/19/63/21/1411196321.db2.gz JCRMABDVMMEHBT-SFHVURJKSA-N 1 3 376.570 3.225 20 30 GGEDHO C#CCN1CCC(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000108932001 1411643227 /nfs/dbraw/zinc/64/32/27/1411643227.db2.gz WJPJUIJPIMLCSH-UHFFFAOYSA-N 1 3 389.543 3.377 20 30 GGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000177512009 1428777562 /nfs/dbraw/zinc/77/75/62/1428777562.db2.gz UOPOMYSIXJGIHD-RTBURBONSA-N 1 3 398.551 3.098 20 30 GGEDHO C[NH+](C)CCCC1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000123244966 1414677388 /nfs/dbraw/zinc/67/73/88/1414677388.db2.gz FDNKLOZJWSCNIO-IBGZPJMESA-N 1 3 391.519 3.277 20 30 GGEDHO C=C(C)CN1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000125829983 1415292706 /nfs/dbraw/zinc/29/27/06/1415292706.db2.gz RUXQBDPTRMLYPY-UHFFFAOYSA-N 1 3 376.589 3.369 20 30 GGEDHO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171057785 1425459284 /nfs/dbraw/zinc/45/92/84/1425459284.db2.gz AIQRWBYXBKNSQJ-UHFFFAOYSA-N 1 3 397.567 3.037 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000171709524 1425798316 /nfs/dbraw/zinc/79/83/16/1425798316.db2.gz QLWODRQAJIMQHK-IBGZPJMESA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000171709524 1425798322 /nfs/dbraw/zinc/79/83/22/1425798322.db2.gz QLWODRQAJIMQHK-IBGZPJMESA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171709526 1425798651 /nfs/dbraw/zinc/79/86/51/1425798651.db2.gz LORHQDCWDWOLBQ-LJQANCHMSA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171709526 1425798656 /nfs/dbraw/zinc/79/86/56/1425798656.db2.gz LORHQDCWDWOLBQ-LJQANCHMSA-N 1 3 384.568 3.368 20 30 GGEDHO COc1cc(C#N)ccc1OCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174400498 1427139100 /nfs/dbraw/zinc/13/91/00/1427139100.db2.gz CWONEFSBZQTJMU-NRFANRHFSA-N 1 3 379.504 3.400 20 30 GGEDHO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174400498 1427139102 /nfs/dbraw/zinc/13/91/02/1427139102.db2.gz CWONEFSBZQTJMU-NRFANRHFSA-N 1 3 379.504 3.400 20 30 GGEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176245822 1428192172 /nfs/dbraw/zinc/19/21/72/1428192172.db2.gz VOWFJNCZDZMNPF-NRFANRHFSA-N 1 3 382.552 3.103 20 30 GGEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176245822 1428192176 /nfs/dbraw/zinc/19/21/76/1428192176.db2.gz VOWFJNCZDZMNPF-NRFANRHFSA-N 1 3 382.552 3.103 20 30 GGEDHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180213388 1429803640 /nfs/dbraw/zinc/80/36/40/1429803640.db2.gz LIULHMDRTMAPMI-UHFFFAOYSA-N 1 3 393.535 3.036 20 30 GGEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000261632293 1433897774 /nfs/dbraw/zinc/89/77/74/1433897774.db2.gz CNUXCFCVXTVMJG-BHDDXSALSA-N 1 3 396.579 3.164 20 30 GGEDHO [NH2+]=C(NC[C@H]1CCOc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000262513871 1433941948 /nfs/dbraw/zinc/94/19/48/1433941948.db2.gz FMHUMMXLNYQJFT-LJQANCHMSA-N 1 3 378.520 3.122 20 30 GGEDHO [NH2+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000262697078 1433950621 /nfs/dbraw/zinc/95/06/21/1433950621.db2.gz FDUMYVDOWMAPJN-YLJYHZDGSA-N 1 3 384.474 3.390 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046313648 1404360293 /nfs/dbraw/zinc/36/02/93/1404360293.db2.gz WGBHUBKRNNVDGJ-QFIPXVFZSA-N 1 3 399.583 3.142 20 30 GGEDHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000064614519 1408586039 /nfs/dbraw/zinc/58/60/39/1408586039.db2.gz XKJHVJDVLXUHND-OALUTQOASA-N 1 3 389.540 3.357 20 30 GGEDHO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000069785302 1409698605 /nfs/dbraw/zinc/69/86/05/1409698605.db2.gz DTTKEDLIGQKPQW-UHFFFAOYSA-N 1 3 391.563 3.074 20 30 GGEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073215920 1409859086 /nfs/dbraw/zinc/85/90/86/1409859086.db2.gz WMROUEZPXNTRLB-PMACEKPBSA-N 1 3 376.589 3.323 20 30 GGEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073215920 1409859087 /nfs/dbraw/zinc/85/90/87/1409859087.db2.gz WMROUEZPXNTRLB-PMACEKPBSA-N 1 3 376.589 3.323 20 30 GGEDHO C[NH+](C)CCOc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792291 1410081578 /nfs/dbraw/zinc/08/15/78/1410081578.db2.gz BNZQSQOACJPJNV-UHFFFAOYSA-N 1 3 378.520 3.211 20 30 GGEDHO C#CCCOc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000092426801 1410157040 /nfs/dbraw/zinc/15/70/40/1410157040.db2.gz ZOTCPACWFZXQFZ-UHFFFAOYSA-N 1 3 399.579 3.005 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178169476 1429005517 /nfs/dbraw/zinc/00/55/17/1429005517.db2.gz QYDYBTKHVRZAMS-NRFANRHFSA-N 1 3 382.552 3.103 20 30 GGEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178169476 1429005522 /nfs/dbraw/zinc/00/55/22/1429005522.db2.gz QYDYBTKHVRZAMS-NRFANRHFSA-N 1 3 382.552 3.103 20 30 GGEDHO C=CCN1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000178172536 1429006903 /nfs/dbraw/zinc/00/69/03/1429006903.db2.gz AUMJFXNHEQCHAF-RTBURBONSA-N 1 3 384.568 3.093 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775061 1429167075 /nfs/dbraw/zinc/16/70/75/1429167075.db2.gz GODILOYQRNRSKW-JTHBVZDNSA-N 1 3 396.579 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178775061 1429167081 /nfs/dbraw/zinc/16/70/81/1429167081.db2.gz GODILOYQRNRSKW-JTHBVZDNSA-N 1 3 396.579 3.333 20 30 GGEDHO Cn1cc(CNCCC[N@@H+]2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180044001 1429710712 /nfs/dbraw/zinc/71/07/12/1429710712.db2.gz OSDJDHUIDWJGMS-UHFFFAOYSA-N 1 3 385.515 3.497 20 30 GGEDHO Cn1cc(CNCCC[N@H+]2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180044001 1429710715 /nfs/dbraw/zinc/71/07/15/1429710715.db2.gz OSDJDHUIDWJGMS-UHFFFAOYSA-N 1 3 385.515 3.497 20 30 GGEDHO Cn1cc(CNCc2cccc(OCC[NH+](C)C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180058674 1429718345 /nfs/dbraw/zinc/71/83/45/1429718345.db2.gz PQMJPGTUNTTWNG-UHFFFAOYSA-N 1 3 389.503 3.189 20 30 GGEDHO C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000160084941 1424571653 /nfs/dbraw/zinc/57/16/53/1424571653.db2.gz SDDDRUVIOHQDSE-QFIPXVFZSA-N 1 3 384.568 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000171637538 1425768838 /nfs/dbraw/zinc/76/88/38/1425768838.db2.gz GYCHKUROANNNFU-UHFFFAOYSA-N 1 3 388.581 3.050 20 30 GGEDHO C=CCN1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000171705620 1425795791 /nfs/dbraw/zinc/79/57/91/1425795791.db2.gz RGTZFMPBFWCFEN-OAQYLSRUSA-N 1 3 388.556 3.028 20 30 GGEDHO C=CCN1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000171705616 1425795809 /nfs/dbraw/zinc/79/58/09/1425795809.db2.gz RGTZFMPBFWCFEN-NRFANRHFSA-N 1 3 388.556 3.028 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000171709523 1425798274 /nfs/dbraw/zinc/79/82/74/1425798274.db2.gz QLWODRQAJIMQHK-LJQANCHMSA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000171709523 1425798277 /nfs/dbraw/zinc/79/82/77/1425798277.db2.gz QLWODRQAJIMQHK-LJQANCHMSA-N 1 3 384.568 3.368 20 30 GGEDHO C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000171721675 1425803282 /nfs/dbraw/zinc/80/32/82/1425803282.db2.gz CYMZIHKNSVECFI-JOCHJYFZSA-N 1 3 384.568 3.409 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000172584938 1426098138 /nfs/dbraw/zinc/09/81/38/1426098138.db2.gz BKHYVRFSBLHZAE-DENIHFKCSA-N 1 3 384.568 3.331 20 30 GGEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000172584938 1426098144 /nfs/dbraw/zinc/09/81/44/1426098144.db2.gz BKHYVRFSBLHZAE-DENIHFKCSA-N 1 3 384.568 3.331 20 30 GGEDHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181860356 1430373333 /nfs/dbraw/zinc/37/33/33/1430373333.db2.gz CFEZNBHCCDTVLF-GOSISDBHSA-N 1 3 379.504 3.396 20 30 GGEDHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000181973964 1430390647 /nfs/dbraw/zinc/39/06/47/1430390647.db2.gz UNECFAQVNDAKHB-SFHVURJKSA-N 1 3 376.504 3.235 20 30 GGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000184753413 1430966933 /nfs/dbraw/zinc/96/69/33/1430966933.db2.gz NZAIJHDKZSRLBG-RTBURBONSA-N 1 3 382.552 3.075 20 30 GGEDHO C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262428526 1433938658 /nfs/dbraw/zinc/93/86/58/1433938658.db2.gz DHAVKWBTLYGPOM-CYBMUJFWSA-N 1 3 385.375 3.146 20 30 GGEDHO C[NH+]=C(NCc1cc(Br)cs1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262432450 1433938815 /nfs/dbraw/zinc/93/88/15/1433938815.db2.gz FKZQYGKLVGOBIH-CQSZACIVSA-N 1 3 385.375 3.146 20 30 GGEDHO C[NH+]=C(NCc1cc(Br)cs1)N1CC[C@H](N2CCCCC2)C1 ZINC000262432448 1433938929 /nfs/dbraw/zinc/93/89/29/1433938929.db2.gz FKZQYGKLVGOBIH-AWEZNQCLSA-N 1 3 385.375 3.146 20 30 GGEDHO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262483778 1433941076 /nfs/dbraw/zinc/94/10/76/1433941076.db2.gz SCKUSDURQHLZNM-RTBURBONSA-N 1 3 389.613 3.021 20 30 GGEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N(C)Cc1cc2ccccc2o1 ZINC000262761718 1433954251 /nfs/dbraw/zinc/95/42/51/1433954251.db2.gz DJPNHKFQOGKVBS-UHFFFAOYSA-N 1 3 384.524 3.085 20 30 GGEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N(C)Cc1c(F)cccc1Cl ZINC000262826260 1433959414 /nfs/dbraw/zinc/95/94/14/1433959414.db2.gz ZRVGAXSYRDXZNR-UHFFFAOYSA-N 1 3 396.938 3.131 20 30 GGEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047703136 1404895894 /nfs/dbraw/zinc/89/58/94/1404895894.db2.gz ZFJFHIXUHVKDSB-HXUWFJFHSA-N 1 3 392.547 3.253 20 30 GGEDHO C=CCN(Cc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761313 1405861148 /nfs/dbraw/zinc/86/11/48/1405861148.db2.gz JGCKKRVHGGLCBH-UHFFFAOYSA-N 1 3 388.531 3.082 20 30 GGEDHO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065930266 1408755781 /nfs/dbraw/zinc/75/57/81/1408755781.db2.gz ONLDGUVEAQOUBU-UHFFFAOYSA-N 1 3 390.531 3.358 20 30 GGEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495348 1411072180 /nfs/dbraw/zinc/07/21/80/1411072180.db2.gz UYMUDCKDDBOFSA-SFHVURJKSA-N 1 3 379.504 3.224 20 30 GGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000177482031 1428761701 /nfs/dbraw/zinc/76/17/01/1428761701.db2.gz VZZDCQSEAYSLLW-RTBURBONSA-N 1 3 398.551 3.098 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000177868889 1428878380 /nfs/dbraw/zinc/87/83/80/1428878380.db2.gz PNBMWRWKTZLJNL-LJQANCHMSA-N 1 3 376.589 3.323 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000177868889 1428878386 /nfs/dbraw/zinc/87/83/86/1428878386.db2.gz PNBMWRWKTZLJNL-LJQANCHMSA-N 1 3 376.589 3.323 20 30 GGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128212184 1415940042 /nfs/dbraw/zinc/94/00/42/1415940042.db2.gz DIHBWCGUQYXBNE-AEFFLSMTSA-N 1 3 379.932 3.056 20 30 GGEDHO CN(CCNC(=O)C1CC[NH+](CC(C)(C)CCC#N)CC1)Cc1ccccc1 ZINC000130911646 1416479957 /nfs/dbraw/zinc/47/99/57/1416479957.db2.gz DFZYYXXLYRORFS-UHFFFAOYSA-N 1 3 384.568 3.277 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000178775039 1429167010 /nfs/dbraw/zinc/16/70/10/1429167010.db2.gz GODILOYQRNRSKW-FYYLOGMGSA-N 1 3 396.579 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178775039 1429167011 /nfs/dbraw/zinc/16/70/11/1429167011.db2.gz GODILOYQRNRSKW-FYYLOGMGSA-N 1 3 396.579 3.333 20 30 GGEDHO C=CCN1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171717056 1425801540 /nfs/dbraw/zinc/80/15/40/1425801540.db2.gz UDRJXCXYWXISDD-HXUWFJFHSA-N 1 3 395.469 3.208 20 30 GGEDHO C=CCN1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171717056 1425801541 /nfs/dbraw/zinc/80/15/41/1425801541.db2.gz UDRJXCXYWXISDD-HXUWFJFHSA-N 1 3 395.469 3.208 20 30 GGEDHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000181616186 1430328737 /nfs/dbraw/zinc/32/87/37/1430328737.db2.gz DFCNPUQAQPVAFL-WOJBJXKFSA-N 1 3 384.568 3.002 20 30 GGEDHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000181974092 1430390726 /nfs/dbraw/zinc/39/07/26/1430390726.db2.gz NPTCKORQXAOPNP-SFHVURJKSA-N 1 3 376.504 3.235 20 30 GGEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000237217336 1433392884 /nfs/dbraw/zinc/39/28/84/1433392884.db2.gz GWOMTRBMFDSYJG-UHFFFAOYSA-N 1 3 392.547 3.406 20 30 GGEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000261632290 1433897733 /nfs/dbraw/zinc/89/77/33/1433897733.db2.gz CNUXCFCVXTVMJG-BDTNDASRSA-N 1 3 396.579 3.164 20 30 GGEDHO C[NH+]=C(NCCc1ccc(Br)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000262439221 1433939111 /nfs/dbraw/zinc/93/91/11/1433939111.db2.gz HEFJDMQVGSHTNG-AWEZNQCLSA-N 1 3 399.402 3.189 20 30 GGEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CCN(Cc2ccccc2)CC1 ZINC000262464586 1433940110 /nfs/dbraw/zinc/94/01/10/1433940110.db2.gz YCMCHJDCCNGWTA-HBMCJLEFSA-N 1 3 384.568 3.020 20 30 GGEDHO [NH2+]=C(NC[C@@H]1CSc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000263061223 1433981580 /nfs/dbraw/zinc/98/15/80/1433981580.db2.gz FNMHXYCERNDDNO-GOSISDBHSA-N 1 3 380.561 3.445 20 30 GGEDHO C=CCN1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)CC1 ZINC000264364066 1434102755 /nfs/dbraw/zinc/10/27/55/1434102755.db2.gz PCCWEDKIFFLFHC-UHFFFAOYSA-N 1 3 378.586 3.252 20 30 GGEDHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CC1 ZINC000271243925 1434810505 /nfs/dbraw/zinc/81/05/05/1434810505.db2.gz ZRGSHDGLBQSVRC-UHFFFAOYSA-N 1 3 383.584 3.027 20 30 GGEDHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839623 1435429400 /nfs/dbraw/zinc/42/94/00/1435429400.db2.gz USJKWHHBTXRUFJ-XZOQPEGZSA-N 1 3 390.531 3.496 20 30 GGEDHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000278839623 1435429401 /nfs/dbraw/zinc/42/94/01/1435429401.db2.gz USJKWHHBTXRUFJ-XZOQPEGZSA-N 1 3 390.531 3.496 20 30 GGEDHO