smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCC[N@H+]1CCN(Cc2cnc3ccccn23)C[C@H]1CC ZINC000159953796 402334421 /nfs/dbraw/zinc/33/44/21/402334421.db2.gz USRNFBOXYNUYBN-MRXNPFEDSA-N 2 1 316.449 2.267 10 70 DEIEMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000159962017 197376963 /nfs/dbraw/zinc/37/69/63/197376963.db2.gz XZDHJBROZIZIHM-MRXNPFEDSA-N 2 1 312.502 2.138 10 70 DEIEMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000159962017 197376966 /nfs/dbraw/zinc/37/69/66/197376966.db2.gz XZDHJBROZIZIHM-MRXNPFEDSA-N 2 1 312.502 2.138 10 70 DEIEMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000159962017 197376969 /nfs/dbraw/zinc/37/69/69/197376969.db2.gz XZDHJBROZIZIHM-MRXNPFEDSA-N 2 1 312.502 2.138 10 70 DEIEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)NC(C)C)C2)[nH+]1 ZINC000160912744 402365221 /nfs/dbraw/zinc/36/52/21/402365221.db2.gz YNSRLXOWVPHANU-OAHLLOKOSA-N 2 1 304.438 2.039 10 70 DEIEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)NC(C)C)C2)[nH+]1 ZINC000160912744 402365223 /nfs/dbraw/zinc/36/52/23/402365223.db2.gz YNSRLXOWVPHANU-OAHLLOKOSA-N 2 1 304.438 2.039 10 70 DEIEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000161235100 402379001 /nfs/dbraw/zinc/37/90/01/402379001.db2.gz RCDGLULTMGDLGJ-PBHICJAKSA-N 2 1 303.450 2.207 10 70 DEIEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)NC(C)C)C2)[nH+]1 ZINC000160912623 402365457 /nfs/dbraw/zinc/36/54/57/402365457.db2.gz YNSRLXOWVPHANU-HNNXBMFYSA-N 2 1 304.438 2.039 10 70 DEIEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)NC(C)C)C2)[nH+]1 ZINC000160912623 402365459 /nfs/dbraw/zinc/36/54/59/402365459.db2.gz YNSRLXOWVPHANU-HNNXBMFYSA-N 2 1 304.438 2.039 10 70 DEIEMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000161013673 402369289 /nfs/dbraw/zinc/36/92/89/402369289.db2.gz XAIVNPVUSKIFQP-AWEZNQCLSA-N 2 1 310.486 2.020 10 70 DEIEMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000161013673 402369293 /nfs/dbraw/zinc/36/92/93/402369293.db2.gz XAIVNPVUSKIFQP-AWEZNQCLSA-N 2 1 310.486 2.020 10 70 DEIEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000159602041 279158406 /nfs/dbraw/zinc/15/84/06/279158406.db2.gz NNRHROZNJLUEDT-HZPDHXFCSA-N 2 1 312.502 2.136 10 70 DEIEMP c1cnnc(NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000160938900 402366337 /nfs/dbraw/zinc/36/63/37/402366337.db2.gz WHQFJUOHJPNJGO-UHFFFAOYSA-N 2 1 303.454 2.229 10 70 DEIEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000159856519 197369163 /nfs/dbraw/zinc/36/91/63/197369163.db2.gz MEJGHODWLRIYGF-GOSISDBHSA-N 2 1 320.481 2.158 10 70 DEIEMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000159856519 197369164 /nfs/dbraw/zinc/36/91/64/197369164.db2.gz MEJGHODWLRIYGF-GOSISDBHSA-N 2 1 320.481 2.158 10 70 DEIEMP CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000161304362 402381280 /nfs/dbraw/zinc/38/12/80/402381280.db2.gz REBGHZOWONQZND-GUYCJALGSA-N 2 1 303.406 2.229 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159663331 186133960 /nfs/dbraw/zinc/13/39/60/186133960.db2.gz XMXJMBJSIQPQDR-IAGOWNOFSA-N 2 1 324.513 2.138 10 70 DEIEMP CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000161235217 402379126 /nfs/dbraw/zinc/37/91/26/402379126.db2.gz RCDGLULTMGDLGJ-YOEHRIQHSA-N 2 1 303.450 2.207 10 70 DEIEMP CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000159880610 197370716 /nfs/dbraw/zinc/37/07/16/197370716.db2.gz MAYMJOLNMHROBK-UNXYVOJBSA-N 2 1 309.376 2.035 10 70 DEIEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160795664 402360818 /nfs/dbraw/zinc/36/08/18/402360818.db2.gz IJARGUWGAFYUAX-QGZVFWFLSA-N 2 1 324.513 2.234 10 70 DEIEMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161147072 402375463 /nfs/dbraw/zinc/37/54/63/402375463.db2.gz IFIREHKPJPTLSW-CABCVRRESA-N 2 1 306.454 2.242 10 70 DEIEMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161147072 402375465 /nfs/dbraw/zinc/37/54/65/402375465.db2.gz IFIREHKPJPTLSW-CABCVRRESA-N 2 1 306.454 2.242 10 70 DEIEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160795529 402360800 /nfs/dbraw/zinc/36/08/00/402360800.db2.gz IJARGUWGAFYUAX-KRWDZBQOSA-N 2 1 324.513 2.234 10 70 DEIEMP CCn1cnnc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161444227 402387696 /nfs/dbraw/zinc/38/76/96/402387696.db2.gz RSVIFDYLOGVTCK-MRXNPFEDSA-N 2 1 305.470 2.353 10 70 DEIEMP CCn1cnnc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161444227 402387698 /nfs/dbraw/zinc/38/76/98/402387698.db2.gz RSVIFDYLOGVTCK-MRXNPFEDSA-N 2 1 305.470 2.353 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000160224644 197393571 /nfs/dbraw/zinc/39/35/71/197393571.db2.gz XZJWFTVZDBBDJU-ZACQAIPSSA-N 2 1 324.513 2.135 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000160224644 197393574 /nfs/dbraw/zinc/39/35/74/197393574.db2.gz XZJWFTVZDBBDJU-ZACQAIPSSA-N 2 1 324.513 2.135 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000160224644 197393576 /nfs/dbraw/zinc/39/35/76/197393576.db2.gz XZJWFTVZDBBDJU-ZACQAIPSSA-N 2 1 324.513 2.135 10 70 DEIEMP CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000161390032 402385811 /nfs/dbraw/zinc/38/58/11/402385811.db2.gz NZXZYPPQLIKIKQ-YOEHRIQHSA-N 2 1 303.450 2.207 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000160004490 197379365 /nfs/dbraw/zinc/37/93/65/197379365.db2.gz LGHRNULAFRGTNL-ZMSDIMECSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160004490 197379367 /nfs/dbraw/zinc/37/93/67/197379367.db2.gz LGHRNULAFRGTNL-ZMSDIMECSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000160004490 197379369 /nfs/dbraw/zinc/37/93/69/197379369.db2.gz LGHRNULAFRGTNL-ZMSDIMECSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000160004216 197379443 /nfs/dbraw/zinc/37/94/43/197379443.db2.gz LGHRNULAFRGTNL-YQQAZPJKSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160004216 197379445 /nfs/dbraw/zinc/37/94/45/197379445.db2.gz LGHRNULAFRGTNL-YQQAZPJKSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000160004216 197379446 /nfs/dbraw/zinc/37/94/46/197379446.db2.gz LGHRNULAFRGTNL-YQQAZPJKSA-N 2 1 322.497 2.031 10 70 DEIEMP CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000161304232 402381286 /nfs/dbraw/zinc/38/12/86/402381286.db2.gz REBGHZOWONQZND-SUMWQHHRSA-N 2 1 303.406 2.229 10 70 DEIEMP CCC[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000161504497 402389958 /nfs/dbraw/zinc/38/99/58/402389958.db2.gz RQQJNZKQTCTGIW-GOSISDBHSA-N 2 1 317.477 2.281 10 70 DEIEMP Cc1ccc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000160936130 402366639 /nfs/dbraw/zinc/36/66/39/402366639.db2.gz QRZWFOCLEXWTIY-UHFFFAOYSA-N 2 1 317.481 2.173 10 70 DEIEMP Cc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000160936130 402366642 /nfs/dbraw/zinc/36/66/42/402366642.db2.gz QRZWFOCLEXWTIY-UHFFFAOYSA-N 2 1 317.481 2.173 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000160224773 197394102 /nfs/dbraw/zinc/39/41/02/197394102.db2.gz XZJWFTVZDBBDJU-BBWFWOEESA-N 2 1 324.513 2.135 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000160224773 197394104 /nfs/dbraw/zinc/39/41/04/197394104.db2.gz XZJWFTVZDBBDJU-BBWFWOEESA-N 2 1 324.513 2.135 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000160224773 197394105 /nfs/dbraw/zinc/39/41/05/197394105.db2.gz XZJWFTVZDBBDJU-BBWFWOEESA-N 2 1 324.513 2.135 10 70 DEIEMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000159767010 197362833 /nfs/dbraw/zinc/36/28/33/197362833.db2.gz HTTRMDOMSPPXIM-DLBZAZTESA-N 2 1 324.513 2.138 10 70 DEIEMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000159767010 197362829 /nfs/dbraw/zinc/36/28/29/197362829.db2.gz HTTRMDOMSPPXIM-DLBZAZTESA-N 2 1 324.513 2.138 10 70 DEIEMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000159767010 197362832 /nfs/dbraw/zinc/36/28/32/197362832.db2.gz HTTRMDOMSPPXIM-DLBZAZTESA-N 2 1 324.513 2.138 10 70 DEIEMP CCC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000161307927 402381904 /nfs/dbraw/zinc/38/19/04/402381904.db2.gz NMCFLXBZYZZGSI-QGZVFWFLSA-N 2 1 305.466 2.355 10 70 DEIEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159856664 197368878 /nfs/dbraw/zinc/36/88/78/197368878.db2.gz MEJGHODWLRIYGF-SFHVURJKSA-N 2 1 320.481 2.158 10 70 DEIEMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159856664 197368880 /nfs/dbraw/zinc/36/88/80/197368880.db2.gz MEJGHODWLRIYGF-SFHVURJKSA-N 2 1 320.481 2.158 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000160004346 197379393 /nfs/dbraw/zinc/37/93/93/197379393.db2.gz LGHRNULAFRGTNL-BFYDXBDKSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000160004346 197379395 /nfs/dbraw/zinc/37/93/95/197379395.db2.gz LGHRNULAFRGTNL-BFYDXBDKSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000160004346 197379397 /nfs/dbraw/zinc/37/93/97/197379397.db2.gz LGHRNULAFRGTNL-BFYDXBDKSA-N 2 1 322.497 2.031 10 70 DEIEMP C(NC1=[NH+]CC2(CCCC2)CS1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000160246175 197394542 /nfs/dbraw/zinc/39/45/42/197394542.db2.gz FDHOBRSYCDICEG-ZIAGYGMSSA-N 2 1 309.479 2.102 10 70 DEIEMP CCC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000159880757 197371273 /nfs/dbraw/zinc/37/12/73/197371273.db2.gz MAYMJOLNMHROBK-VOMCLLRMSA-N 2 1 309.376 2.035 10 70 DEIEMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161147181 402375364 /nfs/dbraw/zinc/37/53/64/402375364.db2.gz IFIREHKPJPTLSW-GJZGRUSLSA-N 2 1 306.454 2.242 10 70 DEIEMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161147181 402375368 /nfs/dbraw/zinc/37/53/68/402375368.db2.gz IFIREHKPJPTLSW-GJZGRUSLSA-N 2 1 306.454 2.242 10 70 DEIEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000161330256 402382914 /nfs/dbraw/zinc/38/29/14/402382914.db2.gz HFMBIBNBNUKQLW-NUJGCVRESA-N 2 1 321.509 2.486 10 70 DEIEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000161330256 402382917 /nfs/dbraw/zinc/38/29/17/402382917.db2.gz HFMBIBNBNUKQLW-NUJGCVRESA-N 2 1 321.509 2.486 10 70 DEIEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000161330256 402382919 /nfs/dbraw/zinc/38/29/19/402382919.db2.gz HFMBIBNBNUKQLW-NUJGCVRESA-N 2 1 321.509 2.486 10 70 DEIEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161389905 402385938 /nfs/dbraw/zinc/38/59/38/402385938.db2.gz NZXZYPPQLIKIKQ-PBHICJAKSA-N 2 1 303.450 2.207 10 70 DEIEMP C[N@@H+](CCN1CC[NH+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160592883 402353045 /nfs/dbraw/zinc/35/30/45/402353045.db2.gz NCIQWLBXZPSLRB-GOSISDBHSA-N 2 1 305.441 2.428 10 70 DEIEMP C[NH+](CCN1CC[N@@H+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160592883 402353047 /nfs/dbraw/zinc/35/30/47/402353047.db2.gz NCIQWLBXZPSLRB-GOSISDBHSA-N 2 1 305.441 2.428 10 70 DEIEMP C[NH+](CCN1CC[N@H+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160592883 402353051 /nfs/dbraw/zinc/35/30/51/402353051.db2.gz NCIQWLBXZPSLRB-GOSISDBHSA-N 2 1 305.441 2.428 10 70 DEIEMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000159766882 197362982 /nfs/dbraw/zinc/36/29/82/197362982.db2.gz HTTRMDOMSPPXIM-IAGOWNOFSA-N 2 1 324.513 2.138 10 70 DEIEMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000159766882 197362984 /nfs/dbraw/zinc/36/29/84/197362984.db2.gz HTTRMDOMSPPXIM-IAGOWNOFSA-N 2 1 324.513 2.138 10 70 DEIEMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000159766882 197362985 /nfs/dbraw/zinc/36/29/85/197362985.db2.gz HTTRMDOMSPPXIM-IAGOWNOFSA-N 2 1 324.513 2.138 10 70 DEIEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000161348621 402384149 /nfs/dbraw/zinc/38/41/49/402384149.db2.gz ICNJZYRMSBLSEI-HYVNUMGLSA-N 2 1 303.450 2.134 10 70 DEIEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000161348621 402384150 /nfs/dbraw/zinc/38/41/50/402384150.db2.gz ICNJZYRMSBLSEI-HYVNUMGLSA-N 2 1 303.450 2.134 10 70 DEIEMP CCn1cnnc1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160986425 402368351 /nfs/dbraw/zinc/36/83/51/402368351.db2.gz OOOQHOPHHVAYEX-UHFFFAOYSA-N 2 1 305.470 2.353 10 70 DEIEMP CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000161304485 402381348 /nfs/dbraw/zinc/38/13/48/402381348.db2.gz REBGHZOWONQZND-CXAGYDPISA-N 2 1 303.406 2.229 10 70 DEIEMP CCn1cnnc1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161444358 402387741 /nfs/dbraw/zinc/38/77/41/402387741.db2.gz RSVIFDYLOGVTCK-INIZCTEOSA-N 2 1 305.470 2.353 10 70 DEIEMP CCn1cnnc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161444358 402387743 /nfs/dbraw/zinc/38/77/43/402387743.db2.gz RSVIFDYLOGVTCK-INIZCTEOSA-N 2 1 305.470 2.353 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000159772723 402330122 /nfs/dbraw/zinc/33/01/22/402330122.db2.gz NHNYIVQKCHMYKQ-QGZVFWFLSA-N 2 1 324.513 2.138 10 70 DEIEMP C(NC1=[NH+]CC2(CCCC2)CS1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000160246295 197394938 /nfs/dbraw/zinc/39/49/38/197394938.db2.gz FDHOBRSYCDICEG-KGLIPLIRSA-N 2 1 309.479 2.102 10 70 DEIEMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000161013550 402369453 /nfs/dbraw/zinc/36/94/53/402369453.db2.gz XAIVNPVUSKIFQP-CQSZACIVSA-N 2 1 310.486 2.020 10 70 DEIEMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000161013550 402369456 /nfs/dbraw/zinc/36/94/56/402369456.db2.gz XAIVNPVUSKIFQP-CQSZACIVSA-N 2 1 310.486 2.020 10 70 DEIEMP CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000161304596 402381456 /nfs/dbraw/zinc/38/14/56/402381456.db2.gz REBGHZOWONQZND-DYVFJYSZSA-N 2 1 303.406 2.229 10 70 DEIEMP CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000161307787 402382273 /nfs/dbraw/zinc/38/22/73/402382273.db2.gz NMCFLXBZYZZGSI-KRWDZBQOSA-N 2 1 305.466 2.355 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000160004089 197379318 /nfs/dbraw/zinc/37/93/18/197379318.db2.gz LGHRNULAFRGTNL-HLLBOEOZSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000160004089 197379320 /nfs/dbraw/zinc/37/93/20/197379320.db2.gz LGHRNULAFRGTNL-HLLBOEOZSA-N 2 1 322.497 2.031 10 70 DEIEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000160004089 197379322 /nfs/dbraw/zinc/37/93/22/197379322.db2.gz LGHRNULAFRGTNL-HLLBOEOZSA-N 2 1 322.497 2.031 10 70 DEIEMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000160937489 402366519 /nfs/dbraw/zinc/36/65/19/402366519.db2.gz YLXQTZNVWQSCSO-KRWDZBQOSA-N 2 1 317.481 2.253 10 70 DEIEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000159601887 279144071 /nfs/dbraw/zinc/14/40/71/279144071.db2.gz NNRHROZNJLUEDT-JKSUJKDBSA-N 2 1 312.502 2.136 10 70 DEIEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159663497 186134074 /nfs/dbraw/zinc/13/40/74/186134074.db2.gz XMXJMBJSIQPQDR-DLBZAZTESA-N 2 1 324.513 2.138 10 70 DEIEMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000160937373 402366290 /nfs/dbraw/zinc/36/62/90/402366290.db2.gz YLXQTZNVWQSCSO-QGZVFWFLSA-N 2 1 317.481 2.253 10 70 DEIEMP CN(c1cccnn1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161444503 402387814 /nfs/dbraw/zinc/38/78/14/402387814.db2.gz YVJDEBNVRCDOKW-UHFFFAOYSA-N 2 1 317.481 2.253 10 70 DEIEMP CCC[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000161504371 402389900 /nfs/dbraw/zinc/38/99/00/402389900.db2.gz RQQJNZKQTCTGIW-SFHVURJKSA-N 2 1 317.477 2.281 10 70 DEIEMP