smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)c1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101300027 522218142 /nfs/dbraw/zinc/21/81/42/522218142.db2.gz QSADCGWPCDQLAR-UICBKRPASA-N 1 2 379.507 1.764 40 30 GDEBLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@@H+]1CC1CC1 ZINC000575404773 570301649 /nfs/dbraw/zinc/30/16/49/570301649.db2.gz OKELTYXCCPKCAX-IBGZPJMESA-N 1 2 396.491 1.388 40 30 GDEBLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@H+]1CC1CC1 ZINC000575404773 570301651 /nfs/dbraw/zinc/30/16/51/570301651.db2.gz OKELTYXCCPKCAX-IBGZPJMESA-N 1 2 396.491 1.388 40 30 GDEBLO N#Cc1cccc(C(=O)N2CC3(C2)C[N@H+](CC2CC2)[C@@H](C(=O)N2CCC2)CO3)c1 ZINC000575405910 570302081 /nfs/dbraw/zinc/30/20/81/570302081.db2.gz UXDNKOMYTXMCCK-LJQANCHMSA-N 1 2 394.475 1.096 40 30 GDEBLO N#Cc1cccc(C(=O)N2CC3(C2)C[N@@H+](CC2CC2)[C@@H](C(=O)N2CCC2)CO3)c1 ZINC000575405910 570302083 /nfs/dbraw/zinc/30/20/83/570302083.db2.gz UXDNKOMYTXMCCK-LJQANCHMSA-N 1 2 394.475 1.096 40 30 GDEBLO C=CCCC(=O)N1CC[C@]2(C1)COCc1cnc(NCc3c[nH+]cn3C)nc12 ZINC000306127228 570311917 /nfs/dbraw/zinc/31/19/17/570311917.db2.gz FSIDTJWTONPDCX-FQEVSTJZSA-N 1 2 382.468 1.789 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3ccco3)C2)c1 ZINC000585096011 570710848 /nfs/dbraw/zinc/71/08/48/570710848.db2.gz KHJNEZGDOWXODV-GOSISDBHSA-N 1 2 375.388 1.861 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3ccccn3)C2)c1 ZINC000585096181 570710928 /nfs/dbraw/zinc/71/09/28/570710928.db2.gz XGAJQGRRNFNNFQ-IBGZPJMESA-N 1 2 386.415 1.663 40 30 GDEBLO Cc1ccc(N2C(=O)C(=CNNc3nc(C)cc(C)[nH+]3)C(=O)NC2=S)cc1 ZINC000408759049 570455481 /nfs/dbraw/zinc/45/54/81/570455481.db2.gz WYPQDMRPVJJLBH-FRSZACSASA-N 1 2 382.449 1.864 40 30 GDEBLO CC(=NNC(=N)N)c1sc(-c2nc(C)c(C(C)=NNC(N)=[NH2+])s2)nc1C ZINC000017211826 518462031 /nfs/dbraw/zinc/46/20/31/518462031.db2.gz YPZXJOGCEZNVNK-OXGXFOOWSA-N 1 2 392.518 1.298 40 30 GDEBLO C=CCNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020503124 518963874 /nfs/dbraw/zinc/96/38/74/518963874.db2.gz XKJVULGLCIHSDU-OAHLLOKOSA-N 1 2 397.479 1.695 40 30 GDEBLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530114 560212877 /nfs/dbraw/zinc/21/28/77/560212877.db2.gz WIBZDDXVMSUFDR-HOTGVXAUSA-N 1 2 375.392 1.573 40 30 biogenic,in-vitro GDEBLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530114 560212878 /nfs/dbraw/zinc/21/28/78/560212878.db2.gz WIBZDDXVMSUFDR-HOTGVXAUSA-N 1 2 375.392 1.573 40 30 biogenic,in-vitro GDEBLO CC(C)NC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@@H+]1CC1CC1 ZINC000575404776 570301746 /nfs/dbraw/zinc/30/17/46/570301746.db2.gz OKELTYXCCPKCAX-LJQANCHMSA-N 1 2 396.491 1.388 40 30 GDEBLO CC(C)NC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C#N)c3)C2)C[N@H+]1CC1CC1 ZINC000575404776 570301748 /nfs/dbraw/zinc/30/17/48/570301748.db2.gz OKELTYXCCPKCAX-LJQANCHMSA-N 1 2 396.491 1.388 40 30 GDEBLO Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NC(=O)c2ccccc2N)n1 ZINC000013141593 570835858 /nfs/dbraw/zinc/83/58/58/570835858.db2.gz FXDDNCQUCZBXHA-UHFFFAOYSA-N 1 2 378.440 1.839 40 30 GDEBLO Cc1cc(C)nc(N=C(NCCc2c[nH+]c[nH]2)NC(=O)c2ccccc2N)n1 ZINC000013141593 570835861 /nfs/dbraw/zinc/83/58/61/570835861.db2.gz FXDDNCQUCZBXHA-UHFFFAOYSA-N 1 2 378.440 1.839 40 30 GDEBLO C[N@@H+]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464033 560092837 /nfs/dbraw/zinc/09/28/37/560092837.db2.gz SWZZHQGYUCQZCD-HOCLYGCPSA-N 1 2 390.407 1.965 40 30 biogenic,in-vitro GDEBLO C[N@H+]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464033 560092839 /nfs/dbraw/zinc/09/28/39/560092839.db2.gz SWZZHQGYUCQZCD-HOCLYGCPSA-N 1 2 390.407 1.965 40 30 biogenic,in-vitro GDEBLO Cc1ccc(N2C(=O)C(=CNNc3nc(C)cc(C)[nH+]3)C(=O)NC2=S)cc1 ZINC000408759050 570455523 /nfs/dbraw/zinc/45/55/23/570455523.db2.gz WYPQDMRPVJJLBH-MRGVZLDZSA-N 1 2 382.449 1.864 40 30 GDEBLO C[NH+](C)c1ccc(N2C(=NC(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101300056 522217004 /nfs/dbraw/zinc/21/70/04/522217004.db2.gz JHKSNUWOZWBOQU-KRGDBVFUSA-N 1 2 378.479 1.268 40 30 GDEBLO N#CC(C#N)=c1ccc(=C(c2ccc(N3CCCC3)cc2)[NH+]2CCOCC2)cc1 ZINC000000779672 570320453 /nfs/dbraw/zinc/32/04/53/570320453.db2.gz SANPVLBSSDMSMR-UHFFFAOYSA-N 1 2 384.483 1.973 40 30 GDEBLO N#CC1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=[NH+]C12CCCCCC2 ZINC000010385605 570570232 /nfs/dbraw/zinc/57/02/32/570570232.db2.gz IXKQNMDNOUFKDY-OAHLLOKOSA-N 1 2 383.452 1.756 40 30 GDEBLO CCOc1ccc(NC2=[NH+][C@]3(NC(=N)N2)c2ccccc2N(C(C)=O)C3=O)cc1 ZINC000019339203 570925426 /nfs/dbraw/zinc/92/54/26/570925426.db2.gz JXDMSJAQTOLEPZ-HXUWFJFHSA-N 1 2 392.419 1.326 40 30 GDEBLO CC(=O)ONC1=c2ccccc2=[NH+]C1=C1C(=O)Nc2cc(Br)ccc21 ZINC000100228383 519756684 /nfs/dbraw/zinc/75/66/84/519756684.db2.gz ORWSYHWTBSHFIV-BMRADRMJSA-N 1 2 398.216 1.622 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3ccco3)C2)c1 ZINC000585096018 570710899 /nfs/dbraw/zinc/71/08/99/570710899.db2.gz KHJNEZGDOWXODV-SFHVURJKSA-N 1 2 375.388 1.861 40 30 GDEBLO CCCn1c[nH+]c2c1CN(S(=O)(=O)c1ccc(C#N)cc1)[C@H](C(=O)OC)C2 ZINC000015706980 291107563 /nfs/dbraw/zinc/10/75/63/291107563.db2.gz UMPHYDGTKOHEEA-INIZCTEOSA-N 1 2 388.449 1.453 40 30 biogenic,in-vitro GDEBLO N#Cc1cccc(C(=O)N2CC3(C2)C[N@H+](CC2CC2)[C@H](C(=O)N2CCC2)CO3)c1 ZINC000575405909 570302003 /nfs/dbraw/zinc/30/20/03/570302003.db2.gz UXDNKOMYTXMCCK-IBGZPJMESA-N 1 2 394.475 1.096 40 30 GDEBLO N#Cc1cccc(C(=O)N2CC3(C2)C[N@@H+](CC2CC2)[C@H](C(=O)N2CCC2)CO3)c1 ZINC000575405909 570302005 /nfs/dbraw/zinc/30/20/05/570302005.db2.gz UXDNKOMYTXMCCK-IBGZPJMESA-N 1 2 394.475 1.096 40 30 GDEBLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C#N)cc2)C3)C[C@H](C)O1 ZINC000036058407 570522569 /nfs/dbraw/zinc/52/25/69/570522569.db2.gz FKIBYMYFFFELHN-GJZGRUSLSA-N 1 2 379.464 1.813 40 30 GDEBLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C#N)cc2)C3)C[C@H](C)O1 ZINC000036058407 570522570 /nfs/dbraw/zinc/52/25/70/570522570.db2.gz FKIBYMYFFFELHN-GJZGRUSLSA-N 1 2 379.464 1.813 40 30 GDEBLO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)OCC)CC2)c(OC)c1 ZINC000026533362 570408356 /nfs/dbraw/zinc/40/83/56/570408356.db2.gz AZCLTUUICCFLLT-QGZVFWFLSA-N 1 2 378.469 1.938 40 30 GDEBLO CC(=O)N1c2ccccc2[C@]2(NC(=N)NC(Nc3cccc(Cl)c3C)=[NH+]2)C1=O ZINC000019339211 519640755 /nfs/dbraw/zinc/64/07/55/519640755.db2.gz DJVGRHBXHQPMOD-LJQANCHMSA-N 1 2 396.838 1.890 40 30 GDEBLO C[NH+](C)c1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101300024 522218372 /nfs/dbraw/zinc/21/83/72/522218372.db2.gz QSADCGWPCDQLAR-NHYXNVPJSA-N 1 2 379.507 1.764 40 30 GDEBLO CCCOc1ccc(/C=N/NC(=S)NCC[NH+]2CCOCC2)cc1OC ZINC000023741380 570407912 /nfs/dbraw/zinc/40/79/12/570407912.db2.gz ZAWPRMIOPSIHMQ-XSFVSMFZSA-N 1 2 380.514 1.614 40 30 GDEBLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)OCC)CC2)c(OC)c1 ZINC000026533367 519138875 /nfs/dbraw/zinc/13/88/75/519138875.db2.gz AZCLTUUICCFLLT-KRWDZBQOSA-N 1 2 378.469 1.938 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3ccccn3)C2)c1 ZINC000585096182 570710708 /nfs/dbraw/zinc/71/07/08/570710708.db2.gz XGAJQGRRNFNNFQ-LJQANCHMSA-N 1 2 386.415 1.663 40 30 GDEBLO N#Cc1ccc(C(=O)N2CCC3(CC2)NC(=[NH2+])c2c(F)ccc(F)c2N3)cn1 ZINC000001489460 209330284 /nfs/dbraw/zinc/33/02/84/209330284.db2.gz GIZYIOOBBUHOBS-UHFFFAOYSA-N 1 2 382.374 1.995 40 30 in-vivo GDEBLO C=CCn1c2cc(C)oc2c2cnn(CC(=O)NCCCn3cc[nH+]c3)c(=O)c21 ZINC000072335377 519260975 /nfs/dbraw/zinc/26/09/75/519260975.db2.gz JREXQDDVMQDHNO-UHFFFAOYSA-N 1 2 394.435 1.842 40 30 GDEBLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000015676512 560094676 /nfs/dbraw/zinc/09/46/76/560094676.db2.gz RGVBIHNIOVIPIU-INIZCTEOSA-N 1 2 388.449 1.624 40 30 biogenic,in-vitro GDEBLO CC(=NNC(=N)N)c1sc(-c2nc(C)c(C(C)=NNC(N)=[NH2+])s2)nc1C ZINC000017211829 518451097 /nfs/dbraw/zinc/45/10/97/518451097.db2.gz YPZXJOGCEZNVNK-BDVMWVQXSA-N 1 2 392.518 1.298 40 30 GDEBLO C[NH+](C)c1ccc(N2C(=NC(=O)CC#N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101300070 522217727 /nfs/dbraw/zinc/21/77/27/522217727.db2.gz JHKSNUWOZWBOQU-GGNAOWBESA-N 1 2 378.479 1.268 40 30 GDEBLO N#CC1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=[NH+]C12CCCCCC2 ZINC000010385598 570790139 /nfs/dbraw/zinc/79/01/39/570790139.db2.gz IXKQNMDNOUFKDY-HNNXBMFYSA-N 1 2 383.452 1.756 40 30 GDEBLO C[NH+](C)c1ccc(N2C(=NC(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101300060 522217856 /nfs/dbraw/zinc/21/78/56/522217856.db2.gz JHKSNUWOZWBOQU-HJUNTIBCSA-N 1 2 378.479 1.268 40 30 GDEBLO C=CCNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000020503125 518964558 /nfs/dbraw/zinc/96/45/58/518964558.db2.gz XKJVULGLCIHSDU-HNNXBMFYSA-N 1 2 397.479 1.695 40 30 GDEBLO C=CCNc1nc(N2CCOCC2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH+]1 ZINC000004931693 570649702 /nfs/dbraw/zinc/64/97/02/570649702.db2.gz NSZKBLDZKFNYRN-UHFFFAOYSA-N 1 2 399.474 1.772 40 30 GDEBLO C=CCNc1nc(N2CCN(c3ccc(F)cc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000004931693 570649703 /nfs/dbraw/zinc/64/97/03/570649703.db2.gz NSZKBLDZKFNYRN-UHFFFAOYSA-N 1 2 399.474 1.772 40 30 GDEBLO Cc1cc(-n2c(C)cc(/C=N/NC(=S)NCC[NH+]3CCOCC3)c2C)no1 ZINC000039969523 570908217 /nfs/dbraw/zinc/90/82/17/570908217.db2.gz NNOMGRMZQDATBA-UDWIEESQSA-N 1 2 390.513 1.521 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3cccnc3)C2)c1 ZINC000585095936 570710957 /nfs/dbraw/zinc/71/09/57/570710957.db2.gz DMNORLRLHNRBDU-LJQANCHMSA-N 1 2 386.415 1.663 40 30 GDEBLO CC(=O)N1c2ccccc2[C@@]2(NC(=N)NC(Nc3cccc(Cl)c3C)=[NH+]2)C1=O ZINC000019339216 519640743 /nfs/dbraw/zinc/64/07/43/519640743.db2.gz DJVGRHBXHQPMOD-IBGZPJMESA-N 1 2 396.838 1.890 40 30 GDEBLO C=CCc1c(COC)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000022448643 519122977 /nfs/dbraw/zinc/12/29/77/519122977.db2.gz PVIZLQFSPHEHPK-UHFFFAOYSA-N 1 2 398.463 1.696 40 30 GDEBLO C=CCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000012116476 570235339 /nfs/dbraw/zinc/23/53/39/570235339.db2.gz SKLSUJVZYUQVBS-UHFFFAOYSA-N 1 2 397.523 1.887 40 30 GDEBLO C[NH+](C)c1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101300020 522217774 /nfs/dbraw/zinc/21/77/74/522217774.db2.gz QSADCGWPCDQLAR-YTRIFDNDSA-N 1 2 379.507 1.764 40 30 GDEBLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C#N)cc2)C3)C[C@H](C)O1 ZINC000013566330 136201109 /nfs/dbraw/zinc/20/11/09/136201109.db2.gz FKIBYMYFFFELHN-GASCZTMLSA-N 1 2 379.464 1.813 40 30 GDEBLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C#N)cc2)C3)C[C@H](C)O1 ZINC000013566330 136201110 /nfs/dbraw/zinc/20/11/10/136201110.db2.gz FKIBYMYFFFELHN-GASCZTMLSA-N 1 2 379.464 1.813 40 30 GDEBLO CCCn1c(N[NH+]=Cc2ccc(N(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000033657720 521633502 /nfs/dbraw/zinc/63/35/02/521633502.db2.gz IBZWIQMBAZSACN-NDENLUEZSA-N 1 2 383.456 1.356 40 30 GDEBLO CCOc1ccc(NC2=[NH+][C@@]3(NC(=N)N2)c2ccccc2N(C(C)=O)C3=O)cc1 ZINC000019339207 570925262 /nfs/dbraw/zinc/92/52/62/570925262.db2.gz JXDMSJAQTOLEPZ-FQEVSTJZSA-N 1 2 392.419 1.326 40 30 GDEBLO CCCCn1c(N[NH+]=Cc2ccc(N(C)C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000035131079 570549657 /nfs/dbraw/zinc/54/96/57/570549657.db2.gz RTDWCNKOUYFZDO-NDENLUEZSA-N 1 2 383.456 1.735 40 30 GDEBLO C[NH+](C)c1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101300028 522218403 /nfs/dbraw/zinc/21/84/03/522218403.db2.gz QSADCGWPCDQLAR-WPIBOPBSSA-N 1 2 379.507 1.764 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCC3CCOCC3)C2)c1 ZINC000585096177 570710831 /nfs/dbraw/zinc/71/08/31/570710831.db2.gz WVEQJSQPYAADHS-LJQANCHMSA-N 1 2 393.447 1.495 40 30 GDEBLO C[NH+](C)c1ccc(N2C(=NC(=O)CC#N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101300064 522217533 /nfs/dbraw/zinc/21/75/33/522217533.db2.gz JHKSNUWOZWBOQU-QJGXAYKQSA-N 1 2 378.479 1.268 40 30 GDEBLO CCCCCCCCCCSC[N@H+](C)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000104359585 530838223 /nfs/dbraw/zinc/83/82/23/530838223.db2.gz JQYKKUJBSSMXKL-ZJPYXAASSA-N 1 2 381.579 1.186 40 30 GDEBLO CCCCCCCCCCSC[N@@H+](C)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000104359585 530838227 /nfs/dbraw/zinc/83/82/27/530838227.db2.gz JQYKKUJBSSMXKL-ZJPYXAASSA-N 1 2 381.579 1.186 40 30 GDEBLO CCCCCCCCCCSC[N@H+](C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000104359580 530838559 /nfs/dbraw/zinc/83/85/59/530838559.db2.gz JQYKKUJBSSMXKL-XWTMOSNGSA-N 1 2 381.579 1.186 40 30 GDEBLO CCCCCCCCCCSC[N@@H+](C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000104359580 530838562 /nfs/dbraw/zinc/83/85/62/530838562.db2.gz JQYKKUJBSSMXKL-XWTMOSNGSA-N 1 2 381.579 1.186 40 30 GDEBLO Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NS(=O)(=O)c2ccccc2)n1 ZINC000014729891 570857022 /nfs/dbraw/zinc/85/70/22/570857022.db2.gz XLJIOGXMFMLXIU-UHFFFAOYSA-N 1 2 399.480 1.806 40 30 GDEBLO Cc1cc(C)nc(N=C(NCCc2c[nH+]c[nH]2)NS(=O)(=O)c2ccccc2)n1 ZINC000014729891 570857025 /nfs/dbraw/zinc/85/70/25/570857025.db2.gz XLJIOGXMFMLXIU-UHFFFAOYSA-N 1 2 399.480 1.806 40 30 GDEBLO CCOc1cc(/C=N/NC(=S)NCC[NH+]2CCOCC2)cc(Cl)c1O ZINC000033045632 520640469 /nfs/dbraw/zinc/64/04/69/520640469.db2.gz KHXVHMTXMBTDKT-YBFXNURJSA-N 1 2 386.905 1.575 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCC3CCOCC3)C2)c1 ZINC000585096175 570710817 /nfs/dbraw/zinc/71/08/17/570710817.db2.gz WVEQJSQPYAADHS-IBGZPJMESA-N 1 2 393.447 1.495 40 30 GDEBLO N#Cc1nn(-c2ccc(Br)cc2)nc1N1CC[NH+](CCO)CC1 ZINC000256045825 531092986 /nfs/dbraw/zinc/09/29/86/531092986.db2.gz BDZOBKYMCCTLJX-UHFFFAOYSA-N 1 2 377.246 1.016 40 30 GDEBLO N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3cccnc3)C2)c1 ZINC000585095931 570710865 /nfs/dbraw/zinc/71/08/65/570710865.db2.gz DMNORLRLHNRBDU-IBGZPJMESA-N 1 2 386.415 1.663 40 30 GDEBLO