smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)[O-])ccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001240738747 891029479 /nfs/dbraw/zinc/02/94/79/891029479.db2.gz WPWOAJQLMGSGRZ-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1cc(C(=O)[O-])ccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001240738747 891029483 /nfs/dbraw/zinc/02/94/83/891029483.db2.gz WPWOAJQLMGSGRZ-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL CCOC(=O)[C@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784172 882651201 /nfs/dbraw/zinc/65/12/01/882651201.db2.gz DRCVHLJMIDWPIC-JGVFFNPUSA-N -2 2 308.363 1.752 20 0 DDADLL CCCOc1cccnc1C(=O)NCC1=NC(=O)CC(=O)N1 ZINC001412374636 854485046 /nfs/dbraw/zinc/48/50/46/854485046.db2.gz HYVQKJCNMKGUAR-UHFFFAOYSA-N -2 2 304.306 1.002 20 0 DDADLL COC(=O)[C@@H]1CCC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784553 882651944 /nfs/dbraw/zinc/65/19/44/882651944.db2.gz GVNQZUZJLBXUCA-SFYZADRCSA-N -2 2 308.363 1.752 20 0 DDADLL CCS(=O)(CC)=NS(=O)(=O)Nc1c(C)cccc1O ZINC000872359276 707389272 /nfs/dbraw/zinc/38/92/72/707389272.db2.gz YVSVQEOVSMSVCT-UHFFFAOYSA-N -2 2 306.409 1.865 20 0 DDADLL CCOC(=O)c1nc(NS(=O)(=O)c2ccccc2CC)c[nH]1 ZINC000618907043 363792317 /nfs/dbraw/zinc/79/23/17/363792317.db2.gz JBWCTAQBJOHMFM-UHFFFAOYSA-N -2 2 323.374 1.950 20 0 DDADLL CN(C)c1nc(NS(=O)(=O)CC2CCC2)c(N=O)c(=O)[nH]1 ZINC001193479798 746116540 /nfs/dbraw/zinc/11/65/40/746116540.db2.gz CQHJTRJZYZQVME-UHFFFAOYSA-N -2 2 315.355 1.188 20 0 DDADLL CCOC(=O)[C@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784177 882650624 /nfs/dbraw/zinc/65/06/24/882650624.db2.gz DRCVHLJMIDWPIC-YUMQZZPRSA-N -2 2 308.363 1.752 20 0 DDADLL COc1cc(O)c(C(=O)N=c2[nH]cnn3cccc23)c(OC)c1 ZINC001190109978 745117446 /nfs/dbraw/zinc/11/74/46/745117446.db2.gz FVYYUCAFIPHVNX-UHFFFAOYSA-N -2 2 314.301 1.126 20 0 DDADLL CCOC(=O)[C@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CO1 ZINC001226785538 882650854 /nfs/dbraw/zinc/65/08/54/882650854.db2.gz MRZGOWOMBXPMKD-HTQZYQBOSA-N -2 2 324.362 1.131 20 0 DDADLL COc1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1C(=O)[O-] ZINC001240746509 891030607 /nfs/dbraw/zinc/03/06/07/891030607.db2.gz PUZKIQPCOSLTFH-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1C(=O)[O-] ZINC001240746509 891030623 /nfs/dbraw/zinc/03/06/23/891030623.db2.gz PUZKIQPCOSLTFH-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COC(=O)[C@@H]1CCC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784546 882651257 /nfs/dbraw/zinc/65/12/57/882651257.db2.gz GVNQZUZJLBXUCA-HTQZYQBOSA-N -2 2 308.363 1.752 20 0 DDADLL CCOC(=O)c1n[nH]c(CNC(=O)c2ccc(Cl)cc2O)n1 ZINC001365191802 890307583 /nfs/dbraw/zinc/30/75/83/890307583.db2.gz DGZLOIHGPHKDIS-UHFFFAOYSA-N -2 2 324.724 1.270 20 0 DDADLL Cc1ncc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)c(=O)[nH]1 ZINC000541445506 421792475 /nfs/dbraw/zinc/79/24/75/421792475.db2.gz PWPIQKCVSDTDTE-UHFFFAOYSA-N -2 2 322.394 1.383 20 0 DDADLL Cc1ccc2c(n1)[nH]cc(C(=O)NCCCNC(=O)[O-])c2=O ZINC000740152064 602406496 /nfs/dbraw/zinc/40/64/96/602406496.db2.gz BJCNYWOSWOHPCP-UHFFFAOYSA-N -2 2 304.306 1.031 20 0 DDADLL O=C1N=NC([C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)O1 ZINC000459433999 233191689 /nfs/dbraw/zinc/19/16/89/233191689.db2.gz CFYBGRHEINCUIY-SNVBAGLBSA-N -2 2 317.349 1.528 20 0 DDADLL COC(=O)[C@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CC1 ZINC001226784046 882651307 /nfs/dbraw/zinc/65/13/07/882651307.db2.gz DJEDIQGFIFTPFH-ZKCHVHJHSA-N -2 2 308.363 1.752 20 0 DDADLL COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000360513921 418453819 /nfs/dbraw/zinc/45/38/19/418453819.db2.gz ZXSWRLNGVRRICB-UHFFFAOYSA-N -3 2 323.326 1.900 20 0 DDADLL COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)o1 ZINC000123395250 281170793 /nfs/dbraw/zinc/17/07/93/281170793.db2.gz BNLAFVMNHJDTDA-UHFFFAOYSA-N -2 2 313.273 1.499 20 0 DDADLL CCOC(=O)N1CCC(Oc2nc3nc[nH]c3c(=S)[nH]2)CC1 ZINC001226785145 882651360 /nfs/dbraw/zinc/65/13/60/882651360.db2.gz KGDJJOYFMDOXQV-UHFFFAOYSA-N -2 2 323.378 1.641 20 0 DDADLL CCOC(=O)c1nc(NS(=O)(=O)c2ccc(CC)cc2)c[nH]1 ZINC000618907144 363792309 /nfs/dbraw/zinc/79/23/09/363792309.db2.gz UQQXWVDFNSMNCL-UHFFFAOYSA-N -2 2 323.374 1.950 20 0 DDADLL CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cccc(F)c2O)n1 ZINC001412326754 854443755 /nfs/dbraw/zinc/44/37/55/854443755.db2.gz KVBNYBMSCNHSMY-ZETCQYMHSA-N -2 2 322.296 1.317 20 0 DDADLL CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cccc(F)c2[O-])n1 ZINC001412326754 854443763 /nfs/dbraw/zinc/44/37/63/854443763.db2.gz KVBNYBMSCNHSMY-ZETCQYMHSA-N -2 2 322.296 1.317 20 0 DDADLL CCOC(=O)[C@@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CO1 ZINC001226785546 882650987 /nfs/dbraw/zinc/65/09/87/882650987.db2.gz MRZGOWOMBXPMKD-YUMQZZPRSA-N -2 2 324.362 1.131 20 0 DDADLL Cc1ccc2c(=O)c(C(=O)NCc3ncccc3O)c[n-]c2[nH+]1 ZINC000352983623 410716764 /nfs/dbraw/zinc/71/67/64/410716764.db2.gz BNUNVUBZPNIMJQ-UHFFFAOYSA-N -2 2 310.313 1.674 20 0 DDADLL CC(C)Cc1ncc(C(=O)NCC2=NC(=O)CC(=O)N2)s1 ZINC001363155462 885598131 /nfs/dbraw/zinc/59/81/31/885598131.db2.gz YRLKMODENXKFJQ-UHFFFAOYSA-N -2 2 308.363 1.473 20 0 DDADLL CC(C)CCOC(=O)[C@@H](C)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226785566 882650097 /nfs/dbraw/zinc/65/00/97/882650097.db2.gz MZGNSDADJTWFKT-MRVPVSSYSA-N -2 2 310.379 1.998 20 0 DDADLL COc1ccc(C(=O)[O-])cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001242392344 891407486 /nfs/dbraw/zinc/40/74/86/891407486.db2.gz RYPLEFQFQZZHEV-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1ccc(C(=O)[O-])cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001242392344 891407490 /nfs/dbraw/zinc/40/74/90/891407490.db2.gz RYPLEFQFQZZHEV-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1cc(C(=O)[O-])cc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001244174691 891811766 /nfs/dbraw/zinc/81/17/66/891811766.db2.gz FBWQOFVUGRCEDQ-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1cc(C(=O)[O-])cc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001244174691 891811777 /nfs/dbraw/zinc/81/17/77/891811777.db2.gz FBWQOFVUGRCEDQ-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL O=C(c1ccc2ccccc2c1O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001123962881 859499252 /nfs/dbraw/zinc/49/92/52/859499252.db2.gz YRGDVBKPXFLKGR-LLVKDONJSA-N -2 2 309.329 1.688 20 0 DDADLL COC(=O)[C@H]1CCC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784550 882650475 /nfs/dbraw/zinc/65/04/75/882650475.db2.gz GVNQZUZJLBXUCA-JGVFFNPUSA-N -2 2 308.363 1.752 20 0 DDADLL O=C1NC(=O)[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)S1 ZINC001259459577 898680002 /nfs/dbraw/zinc/68/00/02/898680002.db2.gz DXDPWFHQUDEBEC-MRVPVSSYSA-N -2 2 324.742 1.067 20 0 DDADLL CS(=O)(=O)CS(=O)(=O)Nc1cc2ccccc2cc1O ZINC001260590239 899178339 /nfs/dbraw/zinc/17/83/39/899178339.db2.gz DAFNYRSIQAPTBD-UHFFFAOYSA-N -2 2 315.372 1.289 20 0 DDADLL Cc1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(C)o1 ZINC000371510262 418796837 /nfs/dbraw/zinc/79/68/37/418796837.db2.gz SLPNYIGPKHGAMS-UHFFFAOYSA-N -2 2 319.346 1.877 20 0 DDADLL O=C1N=NC([C@H]2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)O1 ZINC000459433996 233194350 /nfs/dbraw/zinc/19/43/50/233194350.db2.gz CFYBGRHEINCUIY-JTQLQIEISA-N -2 2 317.349 1.528 20 0 DDADLL CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000360512638 418453535 /nfs/dbraw/zinc/45/35/35/418453535.db2.gz QUOYQGVKLKUAEL-UHFFFAOYSA-N -3 2 311.319 1.108 20 0 DDADLL O=C(Nc1ccccc1-c1nn[nH]n1)c1cc(Cl)ncc1O ZINC001196396065 746854378 /nfs/dbraw/zinc/85/43/78/746854378.db2.gz OAIQVYWNDFVLRG-UHFFFAOYSA-N -2 2 316.708 1.873 20 0 DDADLL CCOCc1nc(C)c(C(=O)NCC2=NC(=O)CC(=O)N2)s1 ZINC001364200741 888133269 /nfs/dbraw/zinc/13/32/69/888133269.db2.gz DOKWFYDUPLHQNT-UHFFFAOYSA-N -2 2 324.362 1.119 20 0 DDADLL COC(=O)c1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)o1 ZINC000123384729 281170755 /nfs/dbraw/zinc/17/07/55/281170755.db2.gz GEUBKMXAQHLQJS-UHFFFAOYSA-N -2 2 304.184 1.455 20 0 DDADLL C[C@@H]1CCc2c1n[nH]c2C(=O)NCCCC[P@@](=O)([O-])O ZINC001198465087 747501918 /nfs/dbraw/zinc/50/19/18/747501918.db2.gz XYLWHKDGMBFNGB-MRVPVSSYSA-N -2 2 301.283 1.147 20 0 DDADLL O=C(NNc1ccc(Cl)nn1)c1ccc([N+](=O)[O-])cc1O ZINC000163809268 697334836 /nfs/dbraw/zinc/33/48/36/697334836.db2.gz ATHQJDYIEKHTBG-UHFFFAOYSA-N -2 2 309.669 1.501 20 0 DDADLL O=C(c1cc(Cl)ccc1O)N1CCC(c2nn[nH]n2)CC1 ZINC000913742548 713291643 /nfs/dbraw/zinc/29/16/43/713291643.db2.gz IMESVZNQZUWOEP-UHFFFAOYSA-N -2 2 307.741 1.579 20 0 DDADLL CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2cccc(F)c2O)n1 ZINC001412326747 854443724 /nfs/dbraw/zinc/44/37/24/854443724.db2.gz KVBNYBMSCNHSMY-SSDOTTSWSA-N -2 2 322.296 1.317 20 0 DDADLL CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2cccc(F)c2[O-])n1 ZINC001412326747 854443732 /nfs/dbraw/zinc/44/37/32/854443732.db2.gz KVBNYBMSCNHSMY-SSDOTTSWSA-N -2 2 322.296 1.317 20 0 DDADLL COc1ccc(C(=O)N=c2cc(-c3ccncc3)[nH][nH]2)c(O)c1 ZINC000364129907 300348939 /nfs/dbraw/zinc/34/89/39/300348939.db2.gz CXOVNNHCVZTUDC-UHFFFAOYSA-N -2 2 310.313 1.860 20 0 DDADLL CCc1cc(=O)[nH]c(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)n1 ZINC000516188048 421532985 /nfs/dbraw/zinc/53/29/85/421532985.db2.gz RJOSVUUXFVIETR-UHFFFAOYSA-N -2 2 305.334 1.976 20 0 DDADLL COc1ccc(C(=O)NC2(c3nn[nH]n3)CCCC2)c(O)c1 ZINC000678311032 485535321 /nfs/dbraw/zinc/53/53/21/485535321.db2.gz RQXXQGUWLLBTEF-UHFFFAOYSA-N -2 2 303.322 1.113 20 0 DDADLL CCOC(=O)c1nc(NS(=O)(=O)c2cccc(CC)c2)c[nH]1 ZINC000618906737 363792349 /nfs/dbraw/zinc/79/23/49/363792349.db2.gz VJUVBEXGKJDPIW-UHFFFAOYSA-N -2 2 323.374 1.950 20 0 DDADLL COC(=O)[C@@H]1C[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1(C)C ZINC001226784750 882650188 /nfs/dbraw/zinc/65/01/88/882650188.db2.gz ILSQHVNCCPBKDP-BQBZGAKWSA-N -2 2 308.363 1.608 20 0 DDADLL CC(C)CCOC(=O)[C@H](C)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226785568 882652021 /nfs/dbraw/zinc/65/20/21/882652021.db2.gz MZGNSDADJTWFKT-QMMMGPOBSA-N -2 2 310.379 1.998 20 0 DDADLL O=C(c1c(O)cccc1F)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425324182 420351778 /nfs/dbraw/zinc/35/17/78/420351778.db2.gz QIWXPCKWLPALMK-UHFFFAOYSA-N -2 2 307.281 1.640 20 0 DDADLL COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360513198 418453895 /nfs/dbraw/zinc/45/38/95/418453895.db2.gz VAYOGOIYRGEKNE-UHFFFAOYSA-N -3 2 323.326 1.900 20 0 DDADLL CCOC(=O)[C@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CO1 ZINC001226785540 882650303 /nfs/dbraw/zinc/65/03/03/882650303.db2.gz MRZGOWOMBXPMKD-JGVFFNPUSA-N -2 2 324.362 1.131 20 0 DDADLL O=c1cc(NS(=O)(=O)c2cnc(Cl)nc2)nc(Cl)[nH]1 ZINC001185004579 744135388 /nfs/dbraw/zinc/13/53/88/744135388.db2.gz ROPCNLPQSISSKL-UHFFFAOYSA-N -2 2 322.133 1.080 20 0 DDADLL C[C@H]1CCc2c1n[nH]c2C(=O)NCCCC[P@@](=O)([O-])O ZINC001198465088 747502034 /nfs/dbraw/zinc/50/20/34/747502034.db2.gz XYLWHKDGMBFNGB-QMMMGPOBSA-N -2 2 301.283 1.147 20 0 DDADLL CCOC(=O)[C@@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784175 882651125 /nfs/dbraw/zinc/65/11/25/882651125.db2.gz DRCVHLJMIDWPIC-SFYZADRCSA-N -2 2 308.363 1.752 20 0 DDADLL Cc1nn(-c2ccccc2)c(=NC(=O)c2ccc(O)cc2O)[nH]1 ZINC000675701246 486015804 /nfs/dbraw/zinc/01/58/04/486015804.db2.gz HCTCATGKSPIDHO-UHFFFAOYSA-N -3 2 310.313 1.661 20 0 DDADLL CCOC(=O)[C@@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CO1 ZINC001226785543 882649994 /nfs/dbraw/zinc/64/99/94/882649994.db2.gz MRZGOWOMBXPMKD-SFYZADRCSA-N -2 2 324.362 1.131 20 0 DDADLL COC(=O)[C@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CC1 ZINC001226784040 882651610 /nfs/dbraw/zinc/65/16/10/882651610.db2.gz DJEDIQGFIFTPFH-OCAPTIKFSA-N -2 2 308.363 1.752 20 0 DDADLL CCc1cc(C(=O)NCC2=NC(=O)CC(=O)N2)cc(Cl)n1 ZINC001168429550 744598628 /nfs/dbraw/zinc/59/86/28/744598628.db2.gz FFKVOEJVNJDYKY-UHFFFAOYSA-N -2 2 308.725 1.429 20 0 DDADLL Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C[NH+](C)C)on3)n2)o1 ZINC000351779571 410229155 /nfs/dbraw/zinc/22/91/55/410229155.db2.gz VFWZSUNPEBJGBS-UHFFFAOYSA-N -2 2 316.321 1.675 20 0 DDADLL O=C([O-])Cc1ccc(F)c(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001245320126 892078089 /nfs/dbraw/zinc/07/80/89/892078089.db2.gz ZOYJXMMHUWJGLR-UHFFFAOYSA-N -2 2 310.217 1.923 20 0 DDADLL O=C([O-])Cc1ccc(F)c(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001245320126 892078106 /nfs/dbraw/zinc/07/81/06/892078106.db2.gz ZOYJXMMHUWJGLR-UHFFFAOYSA-N -2 2 310.217 1.923 20 0 DDADLL CCOC(=O)c1c[nH]c(NC(=O)c2cnc(SC)[nH]c2=O)n1 ZINC001191421074 745507432 /nfs/dbraw/zinc/50/74/32/745507432.db2.gz ZGCIVSJSWZJBEJ-UHFFFAOYSA-N -2 2 323.334 1.056 20 0 DDADLL O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1ncccc1O ZINC000548088966 421398567 /nfs/dbraw/zinc/39/85/67/421398567.db2.gz BSXTYABEHRJTJT-UHFFFAOYSA-N -2 2 316.365 1.628 20 0 DDADLL CCOC(=O)[C@@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784169 882650831 /nfs/dbraw/zinc/65/08/31/882650831.db2.gz DRCVHLJMIDWPIC-HTQZYQBOSA-N -2 2 308.363 1.752 20 0 DDADLL Cc1ccc(F)c(S(=O)(=O)Nc2cc(O)cc(C(N)=O)c2)c1 ZINC001259638566 898756570 /nfs/dbraw/zinc/75/65/70/898756570.db2.gz OZTZFCQACLAOGT-UHFFFAOYSA-N -2 2 324.333 1.739 20 0 DDADLL COc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C(=O)[O-] ZINC001241881046 891285616 /nfs/dbraw/zinc/28/56/16/891285616.db2.gz KNIPJHWDKWUAAO-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1C(=O)[O-] ZINC001241881046 891285634 /nfs/dbraw/zinc/28/56/34/891285634.db2.gz KNIPJHWDKWUAAO-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL O=C(Nc1n[nH]c(C(F)(F)F)n1)C(=O)c1ccc(O)cc1 ZINC000438775923 420465611 /nfs/dbraw/zinc/46/56/11/420465611.db2.gz URUXMQANBDROFD-UHFFFAOYSA-N -2 2 300.196 1.351 20 0 DDADLL CCc1c(C(=O)NCc2nc(O)cc(=O)[nH]2)cnn1C(C)(C)C ZINC001412378304 854489361 /nfs/dbraw/zinc/48/93/61/854489361.db2.gz WWMIWDTUIJPDBC-UHFFFAOYSA-N -2 2 319.365 1.332 20 0 DDADLL O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000436705291 420359057 /nfs/dbraw/zinc/35/90/57/420359057.db2.gz MKGQRGJGVCQMIU-UHFFFAOYSA-N -2 2 309.299 1.597 20 0 DDADLL COc1c(C(=O)[O-])cccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001242924425 891553151 /nfs/dbraw/zinc/55/31/51/891553151.db2.gz SZPXPGIQEROYSO-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL COc1c(C(=O)[O-])cccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001242924425 891553156 /nfs/dbraw/zinc/55/31/56/891553156.db2.gz SZPXPGIQEROYSO-UHFFFAOYSA-N -2 2 308.226 1.863 20 0 DDADLL CSc1cccc(F)c1C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412374881 854484857 /nfs/dbraw/zinc/48/48/57/854484857.db2.gz KENMIIMZJGQGNB-UHFFFAOYSA-N -2 2 309.322 1.679 20 0 DDADLL Oc1cccnc1CN1CCC[N@@H+](Cc2ncccc2O)CC1 ZINC000567520642 308083460 /nfs/dbraw/zinc/08/34/60/308083460.db2.gz YYTYSEBNUAKINS-UHFFFAOYSA-N -2 2 314.389 1.596 20 0 DDADLL O=C1NC(=O)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2F)S1 ZINC001259459578 898679885 /nfs/dbraw/zinc/67/98/85/898679885.db2.gz DXDPWFHQUDEBEC-QMMMGPOBSA-N -2 2 324.742 1.067 20 0 DDADLL CSCC[C@H](NC(=O)c1ccc(O)cc1F)c1nn[nH]n1 ZINC001362998816 885189822 /nfs/dbraw/zinc/18/98/22/885189822.db2.gz MUTMUJNJBZLUCI-JTQLQIEISA-N -2 2 311.342 1.269 20 0 DDADLL COC(=O)[C@H]1CCC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226784557 882650544 /nfs/dbraw/zinc/65/05/44/882650544.db2.gz GVNQZUZJLBXUCA-YUMQZZPRSA-N -2 2 308.363 1.752 20 0 DDADLL O=C(c1ccc2ccccc2c1O)N1CC[C@H](c2nn[nH]n2)C1 ZINC001123962882 859498603 /nfs/dbraw/zinc/49/86/03/859498603.db2.gz YRGDVBKPXFLKGR-NSHDSACASA-N -2 2 309.329 1.688 20 0 DDADLL O=C(NCC1=NC(=O)CC(=O)N1)c1ccnc(OC2CCC2)c1 ZINC001363484915 886462785 /nfs/dbraw/zinc/46/27/85/886462785.db2.gz KHDJLYAWSKCCHU-UHFFFAOYSA-N -2 2 316.317 1.144 20 0 DDADLL O=C(NCCOP(=O)([O-])[O-])c1cc(Cl)c(F)cc1O ZINC001196478566 746871483 /nfs/dbraw/zinc/87/14/83/746871483.db2.gz WKPOIOAXCODMAL-UHFFFAOYSA-N -2 2 313.605 1.024 20 0 DDADLL