smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000014547472 181957912 /nfs/dbraw/zinc/95/79/12/181957912.db2.gz BFFODXPDRFAWQT-HDMKZQKVSA-N 0 0 319.408 3.658 10 10 DHCERN Nc1ccc(COCc2ccc(F)cc2Br)cc1 ZINC000019967315 182171484 /nfs/dbraw/zinc/17/14/84/182171484.db2.gz XULTUWZJHWATRS-UHFFFAOYSA-N 0 0 310.166 3.887 10 10 DHCERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](C)C2 ZINC000181899717 526202026 /nfs/dbraw/zinc/20/20/26/526202026.db2.gz XBJAOOOVGCAACT-IFXJQAMLSA-N 0 0 324.424 3.776 10 10 DHCERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H](C)C2 ZINC000181899686 526202359 /nfs/dbraw/zinc/20/23/59/526202359.db2.gz XBJAOOOVGCAACT-AUUYWEPGSA-N 0 0 324.424 3.776 10 10 DHCERN COc1cc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000013507844 560217729 /nfs/dbraw/zinc/21/77/29/560217729.db2.gz QKHJBWUGXMKHAK-STQMWFEESA-N 0 0 316.397 3.869 10 10 DHCERN O=C1c2cccc(Cl)c2C(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000005514155 181252282 /nfs/dbraw/zinc/25/22/82/181252282.db2.gz QCLRPVGGKJWRGP-UHFFFAOYSA-N 0 0 314.621 3.672 10 10 DHCERN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000014547284 181957893 /nfs/dbraw/zinc/95/78/93/181957893.db2.gz RSXUUWWONLNTFL-VKJFTORMSA-N 0 0 306.365 3.695 10 10 DHCERN COc1cccc([C@H]2Nc3c(C(N)=O)cccc3[C@H]3C=CC[C@H]32)c1 ZINC000014550156 181958344 /nfs/dbraw/zinc/95/83/44/181958344.db2.gz UICHGVBWTLJURC-HDMKZQKVSA-N 0 0 320.392 3.621 10 10 DHCERN COc1ccc(C2=NN[C@H](c3cc(C(C)C)ccc3O)C2)cc1 ZINC000020390381 182213661 /nfs/dbraw/zinc/21/36/61/182213661.db2.gz LEJZPSSCRGQTSE-SFHVURJKSA-N 0 0 310.397 3.963 10 10 DHCERN Cc1c2cc(F)cc(-c3ccc(F)c(C)c3)c2n(C)c1C(N)=O ZINC000584618236 337373185 /nfs/dbraw/zinc/37/31/85/337373185.db2.gz DVWMUFHNRBSVFP-UHFFFAOYSA-N 0 0 314.335 3.839 10 10 DHCERN C1=CCN(c2ccc(CNc3noc(-c4ccccc4)n3)cc2)C1 ZINC000157675622 518576096 /nfs/dbraw/zinc/57/60/96/518576096.db2.gz ZIMRIWMDSFZJOH-UHFFFAOYSA-N 0 0 318.380 3.725 10 10 DHCERN COc1ccc(OC)c(C2=C/C(=C\c3ccc(C)o3)C(=O)O2)c1 ZINC000000432513 563253424 /nfs/dbraw/zinc/25/34/24/563253424.db2.gz ZLTXMMPVRAMVEF-XYOKQWHBSA-N 0 0 312.321 3.587 10 10 DHCERN CCN(CC)c1ccc(NC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000226272408 563913517 /nfs/dbraw/zinc/91/35/17/563913517.db2.gz HDXFPWNPJMOCLC-UHFFFAOYSA-N 0 0 311.429 3.605 10 10 DHCERN COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000006036807 181306921 /nfs/dbraw/zinc/30/69/21/181306921.db2.gz QKHJBWUGXMKHAK-OLZOCXBDSA-N 0 0 316.397 3.869 10 10 DHCERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ccccc2N)C1 ZINC000211618762 201441129 /nfs/dbraw/zinc/44/11/29/201441129.db2.gz MHROKDRIFQTCHC-CHWSQXEVSA-N 0 0 305.422 3.517 10 10 DHCERN CNC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 ZINC000013637852 181871328 /nfs/dbraw/zinc/87/13/28/181871328.db2.gz RNSOKEQXXVCTSS-DAYGRLMNSA-N 0 0 320.392 3.578 10 10 DHCERN COc1ccccc1[C@H]1Nc2ccc(C(N)=O)cc2[C@H]2C=CC[C@@H]21 ZINC000014545946 181957256 /nfs/dbraw/zinc/95/72/56/181957256.db2.gz BPUIVQZGAAPVBB-NJSLBKSFSA-N 0 0 320.392 3.621 10 10 DHCERN CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)NC1CCCC1 ZINC000017032337 182069818 /nfs/dbraw/zinc/06/98/18/182069818.db2.gz VCUOOQXWFKSBPR-NBVRZTHBSA-N 0 0 311.429 3.996 10 10 DHCERN Cc1cc(NCc2ccc(O)c(O)c2)ccc1Br ZINC000019908088 182163142 /nfs/dbraw/zinc/16/31/42/182163142.db2.gz XWNHAIQIELKEAN-UHFFFAOYSA-N 0 0 308.175 3.781 10 10 DHCERN Cc1cc(Br)ccc1C(=O)N(C)c1ccc(N)cc1 ZINC000036829268 182845970 /nfs/dbraw/zinc/84/59/70/182845970.db2.gz BWIFVWQVYSZAMQ-UHFFFAOYSA-N 0 0 319.202 3.616 10 10 DHCERN C[C@@H](c1ccccc1O)N(C)C(=O)c1ccc(Br)o1 ZINC000038089396 182987731 /nfs/dbraw/zinc/98/77/31/182987731.db2.gz JVFNZITVTRCFNU-VIFPVBQESA-N 0 0 324.174 3.581 10 10 DHCERN COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170789648 332636618 /nfs/dbraw/zinc/63/66/18/332636618.db2.gz DDOHIQOEVIRXAE-VXGBXAGGSA-N 0 0 319.376 3.960 10 10 DHCERN O=C(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000584623767 337375250 /nfs/dbraw/zinc/37/52/50/337375250.db2.gz HVDBZBBLKLDVHG-UHFFFAOYSA-N 0 0 307.176 3.917 10 10 DHCERN CCc1cccc(C)c1N1C(=O)CN(Cc2ccccc2)C1=S ZINC000000216402 563578445 /nfs/dbraw/zinc/57/84/45/563578445.db2.gz UFTFQKUTNNWAIF-UHFFFAOYSA-N 0 0 324.449 3.691 10 10 DHCERN O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21 ZINC000013639864 181871855 /nfs/dbraw/zinc/87/18/55/181871855.db2.gz PTTPOMAXOJWARU-JKDFXYPNSA-N 0 0 324.336 3.833 10 10 DHCERN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NC(C)(C)C ZINC000017054347 182072169 /nfs/dbraw/zinc/07/21/69/182072169.db2.gz UEOPOYKXPJWZCT-FOWTUZBSSA-N 0 0 317.408 3.991 10 10 DHCERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1nccs1 ZINC000057812192 184055326 /nfs/dbraw/zinc/05/53/26/184055326.db2.gz KJEWGKUBWHABAI-SNVBAGLBSA-N 0 0 300.449 3.635 10 10 DHCERN [O-]c1c(F)cccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000164961768 339052704 /nfs/dbraw/zinc/05/27/04/339052704.db2.gz LCLZMJXDPNABJU-AWEZNQCLSA-N 0 0 307.365 3.997 10 10 DHCERN C=CCOc1cc(OCC=C)c2c(c1)C(=O)c1ccccc1C2=O ZINC000005725849 563330102 /nfs/dbraw/zinc/33/01/02/563330102.db2.gz ZNZUZRBAUMEVQW-UHFFFAOYSA-N 0 0 320.344 3.592 10 10 DHCERN Nc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1 ZINC000140394475 186026815 /nfs/dbraw/zinc/02/68/15/186026815.db2.gz ZFCIDIISTCDWRO-UHFFFAOYSA-N 0 0 318.336 3.657 10 10 DHCERN CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000014547704 181957742 /nfs/dbraw/zinc/95/77/42/181957742.db2.gz URYLJIBZVYNTOO-MDZRGWNJSA-N 0 0 319.408 3.610 10 10 DHCERN Oc1c(Cl)cc2ccc(I)cc2c1O ZINC000039091675 183013864 /nfs/dbraw/zinc/01/38/64/183013864.db2.gz LSFQRMZHTBFCBN-UHFFFAOYSA-N 0 0 320.513 3.509 10 10 DHCERN COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000059267186 184136216 /nfs/dbraw/zinc/13/62/16/184136216.db2.gz PMRRCKNRSSPACP-XNJGSVPQSA-N 0 0 323.352 3.825 10 10 DHCERN COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000059267185 184136445 /nfs/dbraw/zinc/13/64/45/184136445.db2.gz PMRRCKNRSSPACP-IGCXYCKISA-N 0 0 323.352 3.825 10 10 DHCERN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000164961657 339052758 /nfs/dbraw/zinc/05/27/58/339052758.db2.gz LCLZMJXDPNABJU-CQSZACIVSA-N 0 0 307.365 3.997 10 10 DHCERN COc1cc(/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000013823939 518130729 /nfs/dbraw/zinc/13/07/29/518130729.db2.gz PHDDAWSHQWUPPP-VOTSOKGWSA-N 0 0 313.397 3.949 10 10 DHCERN CC(C)c1nc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000127751399 519868665 /nfs/dbraw/zinc/86/86/65/519868665.db2.gz LPOXQJMQZILZLI-MRXNPFEDSA-N 0 0 314.433 3.596 10 10 DHCERN CCOc1ccc(O)c(CN2CCCC[C@H]2c2nccs2)c1 ZINC000127719741 521144476 /nfs/dbraw/zinc/14/44/76/521144476.db2.gz LBZHNJNUWXAFRO-HNNXBMFYSA-N 0 0 318.442 3.975 10 10 DHCERN COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](C)[C@@H](C)C2 ZINC000031169373 560090159 /nfs/dbraw/zinc/09/01/59/560090159.db2.gz GSOJAKKBDGPDIS-ADWYPQAOSA-N 0 0 314.381 3.772 10 10 biogenic,in-vitro DHCERN Cc1cccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)c1 ZINC000006066293 181309905 /nfs/dbraw/zinc/30/99/05/181309905.db2.gz SYFBDAIOUTXVJH-GXDHUFHOSA-N 0 0 314.435 3.739 10 10 DHCERN COc1ccccc1[C@H]1Nc2c(C(N)=O)cccc2[C@H]2C=CC[C@@H]21 ZINC000014545966 181957533 /nfs/dbraw/zinc/95/75/33/181957533.db2.gz KJRAKDRULMDOQD-LXIYXOSZSA-N 0 0 320.392 3.621 10 10 DHCERN COc1cccc([C@H]2Nc3c(O)cccc3[C@H]3C=CC[C@@H]32)c1O ZINC000014459664 181953424 /nfs/dbraw/zinc/95/34/24/181953424.db2.gz NUODEYDJWKAVBD-PRXAMGSTSA-N 0 0 309.365 3.933 10 10 DHCERN Nc1ccc(Nc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000019518918 182127505 /nfs/dbraw/zinc/12/75/05/182127505.db2.gz MCRWNYYMVMEDAX-UHFFFAOYSA-N 0 0 308.135 3.683 10 10 DHCERN Cc1ccc(NCc2ccc(O)c(O)c2)c(Br)c1 ZINC000019901578 182162482 /nfs/dbraw/zinc/16/24/82/182162482.db2.gz FYLLEZVQZVOFPF-UHFFFAOYSA-N 0 0 308.175 3.781 10 10 DHCERN CC(C)[C@@H](N[C@H](C)c1ccc(F)cc1O)c1nc(C2CC2)no1 ZINC000186037415 333216839 /nfs/dbraw/zinc/21/68/39/333216839.db2.gz GGRRCUWPJXIGHX-MEBBXXQBSA-N 0 0 319.380 3.840 10 10 DHCERN CC(C)c1nc(C2(NCc3cc(F)ccc3O)CCCC2)no1 ZINC000180599133 519860214 /nfs/dbraw/zinc/86/02/14/519860214.db2.gz PTKATPNKUQPXJC-UHFFFAOYSA-N 0 0 319.380 3.597 10 10 DHCERN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180138943 522594269 /nfs/dbraw/zinc/59/42/69/522594269.db2.gz COQIOFSJJSPONV-CQSZACIVSA-N 0 0 319.836 3.642 10 10 DHCERN COc1ccc(O)c(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000179964462 524738521 /nfs/dbraw/zinc/73/85/21/524738521.db2.gz MDNBUPRAFVRVSG-CQSZACIVSA-N 0 0 304.415 3.585 10 10 DHCERN COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000013507842 560217681 /nfs/dbraw/zinc/21/76/81/560217681.db2.gz QKHJBWUGXMKHAK-QWHCGFSZSA-N 0 0 316.397 3.869 10 10 biogenic,in-vitro DHCERN O=C1CCN(c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000090659414 185308366 /nfs/dbraw/zinc/30/83/66/185308366.db2.gz HQNMTKOYRGPJEE-OWOJBTEDSA-N 0 0 322.364 3.935 10 10 DHCERN Nc1ccc(Oc2ncnc3c(-c4ccccc4)c[nH]c32)cc1 ZINC000073737739 191351032 /nfs/dbraw/zinc/35/10/32/191351032.db2.gz OHCHRZUSCPTSDG-UHFFFAOYSA-N 0 0 302.337 3.999 10 10 DHCERN Cc1ccc(C2=C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 ZINC000006798040 181390585 /nfs/dbraw/zinc/39/05/85/181390585.db2.gz UDGLYQDDVDDPMB-XNTDXEJSSA-N 0 0 307.305 3.885 10 10 DHCERN CN(C)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000302814644 336370253 /nfs/dbraw/zinc/37/02/53/336370253.db2.gz KESFDXDBTVDQRS-UHFFFAOYSA-N 0 0 307.300 3.551 10 10 DHCERN Cc1c2cc(F)cc(-c3ccc(F)cc3F)c2n(C)c1C(N)=O ZINC000584618915 337373280 /nfs/dbraw/zinc/37/32/80/337373280.db2.gz XEPRIRDLWBPHIH-UHFFFAOYSA-N 0 0 318.298 3.670 10 10 DHCERN COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H](C)[C@@H](C)C2 ZINC000031169366 560090120 /nfs/dbraw/zinc/09/01/20/560090120.db2.gz GSOJAKKBDGPDIS-QQKBFRNYSA-N 0 0 314.381 3.772 10 10 biogenic DHCERN COc1cccc2c1C(=O)c1ccc3c(c1C2=O)CC[C@@H](C)C3 ZINC000038242957 563739779 /nfs/dbraw/zinc/73/97/79/563739779.db2.gz DMBWBXZSANBUDG-LLVKDONJSA-N 0 0 306.361 3.595 10 10 in-vitro DHCERN Cc1ccc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)o1 ZINC000093864818 1032563070 /nfs/dbraw/zinc/56/30/70/1032563070.db2.gz HBYNHFBJRLDEHB-MRXNPFEDSA-N 0 0 307.777 3.521 10 10 DHCERN Cc1cc(N2C(=O)[C@H](C)SC2=S)ccc1Br ZINC000003615908 181041621 /nfs/dbraw/zinc/04/16/21/181041621.db2.gz FYXHXZSZAGBFLD-ZETCQYMHSA-N 0 0 316.245 3.511 10 10 DHCERN COc1cccc2c1C(=O)c1ccc3cc(C)cc(O)c3c1C2=O ZINC000004654727 181132634 /nfs/dbraw/zinc/13/26/34/181132634.db2.gz YCYXQISGHUDFRO-UHFFFAOYSA-N 0 0 318.328 3.638 10 10 in-vitro DHCERN Cc1ccccc1[C@H]1Nc2c(C(N)=O)cccc2[C@H]2C=CC[C@@H]21 ZINC000014478566 181954945 /nfs/dbraw/zinc/95/49/45/181954945.db2.gz RPIYRBHWGXSFIM-RLFYNMQTSA-N 0 0 304.393 3.920 10 10 DHCERN Nc1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020186787 182195434 /nfs/dbraw/zinc/19/54/34/182195434.db2.gz GBDRNJYWHTWJAT-UHFFFAOYSA-N 0 0 308.303 3.859 10 10 DHCERN COc1ccc(Br)cc1-n1c(C)cc(C=O)c1C ZINC000049568517 183742619 /nfs/dbraw/zinc/74/26/19/183742619.db2.gz CFRKDDUHLNYLFA-UHFFFAOYSA-N 0 0 308.175 3.678 10 10 DHCERN Oc1ccc(/C=C/CC[C@@H](O)CCc2ccc(O)c(O)c2)cc1 ZINC000064527818 560078549 /nfs/dbraw/zinc/07/85/49/560078549.db2.gz RECNHCLFPNYLCU-BCMPFUBYSA-N 0 0 314.381 3.591 10 10 biogenic,in-vitro DHCERN COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H](C)[C@H](C)C2 ZINC000031169362 560090140 /nfs/dbraw/zinc/09/01/40/560090140.db2.gz GSOJAKKBDGPDIS-BFKGZMGPSA-N 0 0 314.381 3.772 10 10 biogenic DHCERN COc1cccc([C@@H]2Nc3ccc(C(N)=O)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014550133 181958655 /nfs/dbraw/zinc/95/86/55/181958655.db2.gz GHQRJQGPJMHLTJ-FCEWJHQRSA-N 0 0 320.392 3.621 10 10 DHCERN CC[C@@H](NCC(F)(F)F)c1cc(Br)ccc1O ZINC000019504841 182126850 /nfs/dbraw/zinc/12/68/50/182126850.db2.gz AOUDALZRQRWONH-SECBINFHSA-N 0 0 312.129 3.758 10 10 DHCERN COCc1cc(C[N@H+](C)C2CCCCC2)c([O-])c2ncccc12 ZINC000019848231 182156445 /nfs/dbraw/zinc/15/64/45/182156445.db2.gz IBWXDFGYACXPDP-UHFFFAOYSA-N 0 0 314.429 3.851 10 10 DHCERN COc1ccc(NC(=O)CCc2ccc(N)cc2)cc1Cl ZINC000020186757 182195664 /nfs/dbraw/zinc/19/56/64/182195664.db2.gz BACGZFUELGBXLB-UHFFFAOYSA-N 0 0 304.777 3.502 10 10 DHCERN Nc1ccc(OCc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000038055866 182983284 /nfs/dbraw/zinc/98/32/84/182983284.db2.gz FJXSTTLJIYFCFT-UHFFFAOYSA-N 0 0 323.146 3.519 10 10 DHCERN Nc1ccc(C[S@@](=O)c2cc(Cl)ccc2Cl)cc1 ZINC000042372864 183260679 /nfs/dbraw/zinc/26/06/79/183260679.db2.gz RFLKJEOFJYPKJX-SFHVURJKSA-N 0 0 300.210 3.883 10 10 DHCERN CCOc1cccc(CN2CCCC[C@@H]2c2nccs2)c1O ZINC000127667063 521336665 /nfs/dbraw/zinc/33/66/65/521336665.db2.gz AVNPVSCVWFLFLK-CQSZACIVSA-N 0 0 318.442 3.975 10 10 DHCERN CN(C)c1ccc(CN2CCCC[C@H]2c2nccs2)cc1 ZINC000127617151 522176948 /nfs/dbraw/zinc/17/69/48/522176948.db2.gz CHBRCJHCVHXUSG-INIZCTEOSA-N 0 0 301.459 3.936 10 10 DHCERN Cc1ccc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)o1 ZINC000093864817 1032562648 /nfs/dbraw/zinc/56/26/48/1032562648.db2.gz HBYNHFBJRLDEHB-INIZCTEOSA-N 0 0 307.777 3.521 10 10 DHCERN Oc1ccccc1C1=NN[C@]2(C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)S1 ZINC000004100290 181073225 /nfs/dbraw/zinc/07/32/25/181073225.db2.gz INHLHMFJYFWYSA-ZNTHXWFVSA-N 0 0 300.427 3.543 10 10 DHCERN CNC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014474539 181954196 /nfs/dbraw/zinc/95/41/96/181954196.db2.gz MJEILAYBIGFADB-LXIYXOSZSA-N 0 0 320.392 3.578 10 10 DHCERN Cc1cc(NCc2ccc(O)cc2O)ccc1Br ZINC000019908095 182162911 /nfs/dbraw/zinc/16/29/11/182162911.db2.gz VBIJJIPXVJGKSM-UHFFFAOYSA-N 0 0 308.175 3.781 10 10 DHCERN Nc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000038056439 182983361 /nfs/dbraw/zinc/98/33/61/182983361.db2.gz CILVTCSXQSFQIM-UHFFFAOYSA-N 0 0 309.119 3.732 10 10 DHCERN COc1ccc(Br)cc1COc1ccc(N)cc1 ZINC000049595689 183745093 /nfs/dbraw/zinc/74/50/93/183745093.db2.gz UNDNILYRWSMODO-UHFFFAOYSA-N 0 0 308.175 3.619 10 10 DHCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000059267207 184136491 /nfs/dbraw/zinc/13/64/91/184136491.db2.gz RCGSYABGPBFABC-KEYYUXOJSA-N 0 0 323.352 3.825 10 10 DHCERN CC(C)[C@@H](N[C@@H](C)c1ccc(F)cc1O)c1nc(C2CC2)no1 ZINC000186037377 333216751 /nfs/dbraw/zinc/21/67/51/333216751.db2.gz GGRRCUWPJXIGHX-ZUZCIYMTSA-N 0 0 319.380 3.840 10 10 DHCERN Cc1cc(N(C)C)ccc1CNc1nc(C(C)(C)C)ns1 ZINC000302557132 336361510 /nfs/dbraw/zinc/36/15/10/336361510.db2.gz YOBQZEAYXILDJX-UHFFFAOYSA-N 0 0 304.463 3.822 10 10 DHCERN C[C@@H]1CCN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000180674156 337177214 /nfs/dbraw/zinc/17/72/14/337177214.db2.gz RQHXCBXMYQYKFF-CQSZACIVSA-N 0 0 304.397 3.986 10 10 DHCERN Cc1ccc2c(c1)N(Cc1c[nH]nc1-c1cccnc1)CCC2 ZINC000180751319 337177650 /nfs/dbraw/zinc/17/76/50/337177650.db2.gz UQVPNBJOESJKMV-UHFFFAOYSA-N 0 0 304.397 3.733 10 10 DHCERN Cc1cccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1O ZINC000179967653 524395075 /nfs/dbraw/zinc/39/50/75/524395075.db2.gz XWVQSRNDYUTMGK-CQSZACIVSA-N 0 0 301.390 3.544 10 10 DHCERN COc1ccc(O)c(CN2CCCC[C@H]2c2nccs2)c1 ZINC000179964476 524738555 /nfs/dbraw/zinc/73/85/55/524738555.db2.gz MDNBUPRAFVRVSG-AWEZNQCLSA-N 0 0 304.415 3.585 10 10 DHCERN COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000000616914 563270001 /nfs/dbraw/zinc/27/00/01/563270001.db2.gz MHUKBXYJDIIFCE-IGCXYCKISA-N 0 0 323.352 3.825 10 10 DHCERN Cc1ccccc1C=C1SC(Nc2cccc(O)c2)=NC1=O ZINC000005589897 181261187 /nfs/dbraw/zinc/26/11/87/181261187.db2.gz UVJYXAQFZUARPP-DHDCSXOGSA-N 0 0 310.378 3.783 10 10 DHCERN Cc1ccc(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000006798037 181390354 /nfs/dbraw/zinc/39/03/54/181390354.db2.gz ZNIFLLBLIRKQAA-OQLLNIDSSA-N 0 0 307.305 3.885 10 10 DHCERN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000006798033 181390686 /nfs/dbraw/zinc/39/06/86/181390686.db2.gz QARZFYPEGTXAJL-XNTDXEJSSA-N 0 0 307.305 3.885 10 10 DHCERN COc1ccc([C@@H]2Nc3c(C(N)=O)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013634873 181870727 /nfs/dbraw/zinc/87/07/27/181870727.db2.gz UQTBCWCRFILDJI-MPGHIAIKSA-N 0 0 320.392 3.621 10 10 DHCERN C/C(NC1CCCCC1)=C1/C(C)=NN(c2ccc(F)cc2)C1=O ZINC000017053304 182071411 /nfs/dbraw/zinc/07/14/11/182071411.db2.gz FOBMZYMUJNRJGL-SFQUDFHCSA-N 0 0 315.392 3.745 10 10 DHCERN Nc1ccc(COCc2cc(Br)ccc2F)cc1 ZINC000019967316 182171511 /nfs/dbraw/zinc/17/15/11/182171511.db2.gz OOTDRTQANGSQAE-UHFFFAOYSA-N 0 0 310.166 3.887 10 10 DHCERN CN(Cc1cc(Br)ccc1F)c1ccc(N)cc1 ZINC000020374717 182213156 /nfs/dbraw/zinc/21/31/56/182213156.db2.gz IRCFFACKQFGVNM-UHFFFAOYSA-N 0 0 309.182 3.807 10 10 DHCERN C[C@H](c1ccccc1O)N(C)C(=O)c1ccc(Br)o1 ZINC000038089397 182988032 /nfs/dbraw/zinc/98/80/32/182988032.db2.gz JVFNZITVTRCFNU-SECBINFHSA-N 0 0 324.174 3.581 10 10 DHCERN C[C@H](Oc1ccc(N)cc1)C(=O)c1ccc(Br)cc1 ZINC000040354105 183056157 /nfs/dbraw/zinc/05/61/57/183056157.db2.gz UWPPDBRPZAVHTA-JTQLQIEISA-N 0 0 320.186 3.682 10 10 DHCERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc21 ZINC000692428844 976468480 /nfs/dbraw/zinc/46/84/80/976468480.db2.gz PTXAVMTWZBQEOB-UHFFFAOYSA-N 0 0 321.376 3.632 10 10 DHCERN CC[C@H]1SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000003615427 181041327 /nfs/dbraw/zinc/04/13/27/181041327.db2.gz IGEXBPYVZHEQMM-SECBINFHSA-N 0 0 316.245 3.592 10 10 DHCERN O=C1N=C(N2CCCC2)S/C1=C\c1cccc2ccccc12 ZINC000005604974 181262738 /nfs/dbraw/zinc/26/27/38/181262738.db2.gz SCKDWTLIFGDSRL-VBKFSLOCSA-N 0 0 308.406 3.906 10 10 DHCERN Cc1ccccc1N1C(=O)/C(=C\c2cccn2C)SC1=S ZINC000006206552 181319310 /nfs/dbraw/zinc/31/93/10/181319310.db2.gz JWGZHCWMRDLAPM-GXDHUFHOSA-N 0 0 314.435 3.739 10 10 DHCERN CNC(=O)c1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21 ZINC000014548854 181958204 /nfs/dbraw/zinc/95/82/04/181958204.db2.gz YWOGUFADHNKDNK-BTJLNZGRSA-N 0 0 310.422 3.934 10 10 DHCERN CN(C)c1ccc(CNc2cncc(Br)c2)cc1 ZINC000301329538 336300859 /nfs/dbraw/zinc/30/08/59/336300859.db2.gz AGRXNXLCPDUDGK-UHFFFAOYSA-N 0 0 306.207 3.522 10 10 DHCERN Nc1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000178807175 337167127 /nfs/dbraw/zinc/16/71/27/337167127.db2.gz VMNHANXCTSCLCK-UHFFFAOYSA-N 0 0 309.413 3.902 10 10 DHCERN Cc1c(Br)c(C(F)(F)F)nn1-c1ccc(N)cc1 ZINC000026439159 525524713 /nfs/dbraw/zinc/52/47/13/525524713.db2.gz LQCRJHHJWRJUHD-UHFFFAOYSA-N 0 0 320.112 3.544 10 10 DHCERN Cc1nn(C(C)C)cc1NCc1cc(Br)ccc1O ZINC000725242431 563525526 /nfs/dbraw/zinc/52/55/26/563525526.db2.gz DQMJCGVIOYLUFO-UHFFFAOYSA-N 0 0 324.222 3.853 10 10 DHCERN Oc1ccccc1C1=NN[C@@]2(C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)S1 ZINC000004100293 181073246 /nfs/dbraw/zinc/07/32/46/181073246.db2.gz INHLHMFJYFWYSA-MMWXERNNSA-N 0 0 300.427 3.543 10 10 DHCERN Cc1cccc([C@H]2Nc3c(C(N)=O)cccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479865 181955383 /nfs/dbraw/zinc/95/53/83/181955383.db2.gz MVDQFAAOTFVLPM-RLFYNMQTSA-N 0 0 304.393 3.920 10 10 DHCERN Cc1cccc(C=C2SC(Nc3cccc(O)c3)=NC2=O)c1 ZINC000016904677 182063503 /nfs/dbraw/zinc/06/35/03/182063503.db2.gz PHZGVALTWMUSFG-DHDCSXOGSA-N 0 0 310.378 3.783 10 10 DHCERN O=C1N=C(Nc2cccc(O)c2)SC1=Cc1ccccc1F ZINC000016904683 182063936 /nfs/dbraw/zinc/06/39/36/182063936.db2.gz SEVIPRQWAWNLBM-ZSOIEALJSA-N 0 0 314.341 3.614 10 10 DHCERN O=c1ccc(N=Nc2cccc3nsnc32)c2[nH]snc1-2 ZINC000057353850 184035195 /nfs/dbraw/zinc/03/51/95/184035195.db2.gz KSMFGOZUZRGAFS-BUHFOSPRSA-N 0 0 314.355 3.817 10 10 DHCERN Cc1ccc(Cl)cc1N1CCN(c2ccc(N)cc2)CC1 ZINC000008030926 134486595 /nfs/dbraw/zinc/48/65/95/134486595.db2.gz POKUCQDXVHZRGK-UHFFFAOYSA-N 0 0 301.821 3.557 10 10 DHCERN CCCN(Cc1ccccc1O)c1nc(C(C)(C)C)ns1 ZINC000302409897 336358446 /nfs/dbraw/zinc/35/84/46/336358446.db2.gz HMRPRQFPWLQQJC-UHFFFAOYSA-N 0 0 305.447 3.958 10 10 DHCERN O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2 ZINC000013636953 181871390 /nfs/dbraw/zinc/87/13/90/181871390.db2.gz NHTQCCXUZPKUKI-GRDNDAEWSA-N 0 0 324.336 3.833 10 10 DHCERN CC(Nc1ccc(F)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000017031924 182070021 /nfs/dbraw/zinc/07/00/21/182070021.db2.gz IGGBFLRUDOGGGG-SFQUDFHCSA-N 0 0 309.344 3.934 10 10 DHCERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1nccs1 ZINC000057812199 184055657 /nfs/dbraw/zinc/05/56/57/184055657.db2.gz KJEWGKUBWHABAI-JTQLQIEISA-N 0 0 300.449 3.635 10 10 DHCERN CCS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC000261936077 333395284 /nfs/dbraw/zinc/39/52/84/333395284.db2.gz KICMGMPLIALUBV-UHFFFAOYSA-N 0 0 316.426 3.582 10 10 DHCERN CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180138957 522598318 /nfs/dbraw/zinc/59/83/18/522598318.db2.gz COQIOFSJJSPONV-AWEZNQCLSA-N 0 0 319.836 3.642 10 10 DHCERN Cn1cccc1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O ZINC000002425903 563928371 /nfs/dbraw/zinc/92/83/71/563928371.db2.gz CRXOJRNQJIRQAN-UKTHLTGXSA-N 0 0 318.398 3.570 10 10 DHCERN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 ZINC000013639846 181871698 /nfs/dbraw/zinc/87/16/98/181871698.db2.gz CNLAFOJCTCFYHD-ZJNRKIDTSA-N 0 0 324.336 3.833 10 10 DHCERN COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 ZINC000013639701 181871822 /nfs/dbraw/zinc/87/18/22/181871822.db2.gz LLJDPDHIISDYTK-CKFHNAJUSA-N 0 0 309.365 3.933 10 10 DHCERN CNC(=O)c1cccc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000014551534 181958779 /nfs/dbraw/zinc/95/87/79/181958779.db2.gz URCDKNVBLNMHIO-DAYGRLMNSA-N 0 0 304.393 3.873 10 10 DHCERN COc1ccc(NC(C)=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000017055749 182073282 /nfs/dbraw/zinc/07/32/82/182073282.db2.gz RHUMADYCCYAALS-QGOAFFKASA-N 0 0 321.380 3.804 10 10 DHCERN CCOc1cccc(CN2CCCC[C@H]2c2nccs2)c1O ZINC000127667300 521335393 /nfs/dbraw/zinc/33/53/93/521335393.db2.gz AVNPVSCVWFLFLK-AWEZNQCLSA-N 0 0 318.442 3.975 10 10 DHCERN Cc1cc(N2C(=O)[C@@H](C)SC2=S)ccc1Br ZINC000003615906 181041238 /nfs/dbraw/zinc/04/12/38/181041238.db2.gz FYXHXZSZAGBFLD-SSDOTTSWSA-N 0 0 316.245 3.511 10 10 DHCERN COc1cc([C@@H]2Nc3c(O)cccc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014459015 181953389 /nfs/dbraw/zinc/95/33/89/181953389.db2.gz HKKZIVHAJDFTIN-LXIYXOSZSA-N 0 0 309.365 3.933 10 10 DHCERN Nc1ccc(OCCC(F)(F)C(F)(F)Br)cc1 ZINC000098211075 193791727 /nfs/dbraw/zinc/79/17/27/193791727.db2.gz GLNWBHDWZADVCK-UHFFFAOYSA-N 0 0 316.092 3.661 10 10 DHCERN CC(C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000040570553 183103520 /nfs/dbraw/zinc/10/35/20/183103520.db2.gz DLIZCPJQNSGRAN-QPEQYQDCSA-N 0 0 302.424 3.778 10 10 DHCERN Cc1nc2sc(C(=O)OC(C)C)c(N)c2c2c1CCCC2 ZINC000040568343 183103659 /nfs/dbraw/zinc/10/36/59/183103659.db2.gz OTEMMVBKWLEGIK-UHFFFAOYSA-N 0 0 304.415 3.631 10 10 DHCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21 ZINC000059267205 184136204 /nfs/dbraw/zinc/13/62/04/184136204.db2.gz YHPMYMRNRYNJQI-IIYDPXPESA-N 0 0 323.352 3.825 10 10 DHCERN COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000059267187 184136438 /nfs/dbraw/zinc/13/64/38/184136438.db2.gz MHUKBXYJDIIFCE-XNJGSVPQSA-N 0 0 323.352 3.825 10 10 DHCERN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170789645 332636634 /nfs/dbraw/zinc/63/66/34/332636634.db2.gz DDOHIQOEVIRXAE-NEPJUHHUSA-N 0 0 319.376 3.960 10 10 DHCERN Cc1cccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c1O ZINC000179967671 524398320 /nfs/dbraw/zinc/39/83/20/524398320.db2.gz XWVQSRNDYUTMGK-AWEZNQCLSA-N 0 0 301.390 3.544 10 10 DHCERN COc1cccc(/C=C2/C=C(c3ccccc3)OC2=O)c1OC ZINC000005514884 181252616 /nfs/dbraw/zinc/25/26/16/181252616.db2.gz UDRLNJXPHNTZSQ-PTNGSMBKSA-N 0 0 308.333 3.685 10 10 DHCERN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000014547286 181957927 /nfs/dbraw/zinc/95/79/27/181957927.db2.gz RSXUUWWONLNTFL-RKVPGOIHSA-N 0 0 306.365 3.695 10 10 DHCERN COc1ccc(CNc2ccc(O)cc2)cc1Br ZINC000037316763 182880303 /nfs/dbraw/zinc/88/03/03/182880303.db2.gz IWMYAXDMCVDUAV-UHFFFAOYSA-N 0 0 308.175 3.775 10 10 DHCERN c1cc(N2CCOCC2)ccc1OC12CC3CC(CC(C3)C1)C2 ZINC000039239949 134707923 /nfs/dbraw/zinc/70/79/23/134707923.db2.gz LUBIRHPUYMCNQW-UHFFFAOYSA-N 0 0 313.441 3.871 10 10 DHCERN Cc1cccc(CNC2(c3noc(C4CC4)n3)CCCC2)c1O ZINC000181802896 524429214 /nfs/dbraw/zinc/42/92/14/524429214.db2.gz PKSLGMMVUNEXCU-UHFFFAOYSA-N 0 0 313.401 3.520 10 10 DHCERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](C)C2 ZINC000181899739 526183914 /nfs/dbraw/zinc/18/39/14/526183914.db2.gz XBJAOOOVGCAACT-LIRRHRJNSA-N 0 0 324.424 3.776 10 10 DHCERN COc1ccc([C@H]2Nc3ccc(C(N)=O)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013634770 181870917 /nfs/dbraw/zinc/87/09/17/181870917.db2.gz RALOOEQOEZDVOJ-FRQCXROJSA-N 0 0 320.392 3.621 10 10 DHCERN CC[C@H](NCC(F)(F)F)c1cc(Br)ccc1O ZINC000019504842 182126538 /nfs/dbraw/zinc/12/65/38/182126538.db2.gz AOUDALZRQRWONH-VIFPVBQESA-N 0 0 312.129 3.758 10 10 DHCERN O=C(CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 ZINC000031167735 182607663 /nfs/dbraw/zinc/60/76/63/182607663.db2.gz NORHBOUZICGKOK-UHFFFAOYSA-N 0 0 314.381 3.718 10 10 biogenic DHCERN CN(Cc1ccccc1)c1ccc(/N=N/C2=NN(C)CN2C)cc1 ZINC000038635744 183005343 /nfs/dbraw/zinc/00/53/43/183005343.db2.gz GXJQJQPUBZNCHL-FMQUCBEESA-N 0 0 322.416 3.512 10 10 DHCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 ZINC000059267206 184136206 /nfs/dbraw/zinc/13/62/06/184136206.db2.gz YHPMYMRNRYNJQI-PBFPGSCMSA-N 0 0 323.352 3.825 10 10 DHCERN Cc1c2cc(F)cc(-c3ccc(F)cc3)c2n(C)c1C(N)=O ZINC000584618348 337373214 /nfs/dbraw/zinc/37/32/14/337373214.db2.gz GNUYJTOLWARENH-UHFFFAOYSA-N 0 0 300.308 3.531 10 10 DHCERN Nc1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 ZINC000019231069 182109744 /nfs/dbraw/zinc/10/97/44/182109744.db2.gz VZZQAVSOIGPLDS-UHFFFAOYSA-N 0 0 311.168 3.593 10 10 DHCERN Cc1cc(Br)ccc1NCc1ccc(O)cc1O ZINC000019905587 182162384 /nfs/dbraw/zinc/16/23/84/182162384.db2.gz QRVDCZJIBUUFJI-UHFFFAOYSA-N 0 0 308.175 3.781 10 10 DHCERN CN(C1=NC(=O)/C(=C\C=C\c2ccco2)S1)c1ccccc1 ZINC000027230207 182466693 /nfs/dbraw/zinc/46/66/93/182466693.db2.gz CUKCJRKMMRNFBS-LJFSNBBUSA-N 0 0 310.378 3.943 10 10 DHCERN C[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc(Br)cc1 ZINC000040354107 183056175 /nfs/dbraw/zinc/05/61/75/183056175.db2.gz UWPPDBRPZAVHTA-SNVBAGLBSA-N 0 0 320.186 3.682 10 10 DHCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000059267209 184136319 /nfs/dbraw/zinc/13/63/19/184136319.db2.gz SXQGNZRWBGBQJY-KEYYUXOJSA-N 0 0 323.352 3.825 10 10 DHCERN CCCN(C(=O)c1ccc(Br)o1)c1ccc(N)cc1 ZINC000063115074 184271881 /nfs/dbraw/zinc/27/18/81/184271881.db2.gz AQZNTMUEFDODHW-UHFFFAOYSA-N 0 0 323.190 3.681 10 10 DHCERN O=C1CCN(c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 ZINC000584636689 337379373 /nfs/dbraw/zinc/37/93/73/337379373.db2.gz NHAZWNOYTNGJGU-UHFFFAOYSA-N 0 0 317.335 3.713 10 10 DHCERN Nc1ccc(Cc2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 ZINC000072236633 191080399 /nfs/dbraw/zinc/08/03/99/191080399.db2.gz PZUWGXZALOJWMX-UHFFFAOYSA-N 0 0 318.302 3.664 10 10 DHCERN CC(Nc1ccccc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000017031923 182069863 /nfs/dbraw/zinc/06/98/63/182069863.db2.gz WDWOGZUJQNSXOS-SFQUDFHCSA-N 0 0 309.344 3.934 10 10 DHCERN Cc1ccc(NCc2ccc(O)cc2O)c(Br)c1 ZINC000019901594 182162203 /nfs/dbraw/zinc/16/22/03/182162203.db2.gz CWFWJRSFKATUKN-UHFFFAOYSA-N 0 0 308.175 3.781 10 10 DHCERN Cc1ccc(O)c(CNC2(c3noc(C(C)C)n3)CCCC2)c1 ZINC000113332052 525346385 /nfs/dbraw/zinc/34/63/85/525346385.db2.gz VXXGSZXGNGLGEM-UHFFFAOYSA-N 0 0 315.417 3.766 10 10 DHCERN Cn1c(CSc2ncc(C(C)(C)C)s2)nnc1C1CC1 ZINC000163991943 527066463 /nfs/dbraw/zinc/06/64/63/527066463.db2.gz BHJFPIZGVMVSDO-UHFFFAOYSA-N 0 0 308.476 3.739 10 10 DHCERN COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](C)[C@H](C)C2 ZINC000031169369 560090153 /nfs/dbraw/zinc/09/01/53/560090153.db2.gz GSOJAKKBDGPDIS-FDMGOTLNSA-N 0 0 314.381 3.772 10 10 biogenic DHCERN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccccn1 ZINC000027229005 563916059 /nfs/dbraw/zinc/91/60/59/563916059.db2.gz IBQBVBKEXACEOW-LCYFTJDESA-N 0 0 315.785 3.817 10 10 DHCERN NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000014549574 181958308 /nfs/dbraw/zinc/95/83/08/181958308.db2.gz KLAMEHGAXZHYTF-HDMKZQKVSA-N 0 0 308.356 3.751 10 10 DHCERN Cc1ccccc1[C@H]1Nc2c(C(N)=O)cccc2[C@H]2C=CC[C@H]21 ZINC000014478564 181954733 /nfs/dbraw/zinc/95/47/33/181954733.db2.gz RPIYRBHWGXSFIM-HDMKZQKVSA-N 0 0 304.393 3.920 10 10 DHCERN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc2c(c1)CCCC2 ZINC000237641127 340672891 /nfs/dbraw/zinc/67/28/91/340672891.db2.gz MQNFYSYQGGGEKH-CQSZACIVSA-N 0 0 308.425 3.568 10 10 DHCERN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 ZINC000147719795 186041267 /nfs/dbraw/zinc/04/12/67/186041267.db2.gz RYVBJIOTKQSEAO-UHFFFAOYSA-N 0 0 313.426 3.519 10 10 DHCERN Nc1ccc(Cc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000072236632 191080761 /nfs/dbraw/zinc/08/07/61/191080761.db2.gz CSAJASXCAWLXAR-UHFFFAOYSA-N 0 0 318.302 3.664 10 10 DHCERN O=C(OCCc1ccccc1)c1ccc2cc(O)c(O)cc2c1 ZINC000001642256 180882677 /nfs/dbraw/zinc/88/26/77/180882677.db2.gz MOGIFRACYVVYAG-UHFFFAOYSA-N 0 0 308.333 3.651 10 10 DHCERN COc1ccc(N2N=C(C)C(=C(C)Nc3ccccc3)C2=O)cc1 ZINC000017055741 182073575 /nfs/dbraw/zinc/07/35/75/182073575.db2.gz WDOXUOGCQKQXHL-QGOAFFKASA-N 0 0 321.380 3.804 10 10 DHCERN Cc1cc(Br)ccc1NCc1ccc(O)c(O)c1 ZINC000019905579 182162522 /nfs/dbraw/zinc/16/25/22/182162522.db2.gz JGVWLTVXLFYHKW-UHFFFAOYSA-N 0 0 308.175 3.781 10 10 DHCERN Cc1cccc(CNC2(c3noc(C(C)C)n3)CCCC2)c1O ZINC000181799525 524429960 /nfs/dbraw/zinc/42/99/60/524429960.db2.gz IODHTYGCCCPECR-UHFFFAOYSA-N 0 0 315.417 3.766 10 10 DHCERN Cc1ccc(O)c(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000127861782 525341127 /nfs/dbraw/zinc/34/11/27/525341127.db2.gz DOESRZWSGWLYKV-CQSZACIVSA-N 0 0 301.390 3.544 10 10 DHCERN Cc1ccc([C@H]2Nc3c(C(N)=O)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458326 181952638 /nfs/dbraw/zinc/95/26/38/181952638.db2.gz ITQLMCFWMACWHH-HDMKZQKVSA-N 0 0 304.393 3.920 10 10 DHCERN Oc1ccc(CNc2ccc(Br)cc2F)c(O)c1 ZINC000019907977 182162964 /nfs/dbraw/zinc/16/29/64/182162964.db2.gz ARKPAMIURCUNFK-UHFFFAOYSA-N 0 0 312.138 3.612 10 10 DHCERN Oc1ccc(CNc2ccc(Br)cc2F)cc1O ZINC000019907969 182163324 /nfs/dbraw/zinc/16/33/24/182163324.db2.gz ZZIXWIQZODCQEU-UHFFFAOYSA-N 0 0 312.138 3.612 10 10 DHCERN Oc1ccc(N2CCCCc3c(Cl)c(O)c(O)cc32)cc1 ZINC000022001715 182302973 /nfs/dbraw/zinc/30/29/73/182302973.db2.gz FQFZPUKXPDZWIU-UHFFFAOYSA-N 0 0 305.761 3.931 10 10 DHCERN O=C(c1ccc(Br)cc1)c1cccc2c1NCC2 ZINC000039293491 183016587 /nfs/dbraw/zinc/01/65/87/183016587.db2.gz LXJUSQJYSGMLNA-UHFFFAOYSA-N 0 0 302.171 3.648 10 10 DHCERN CC(C)(C)c1ccc(-c2n[nH]c(Cc3ccc(N)cc3)n2)cc1 ZINC000072236638 191080160 /nfs/dbraw/zinc/08/01/60/191080160.db2.gz HQMVPELOEDTCFK-UHFFFAOYSA-N 0 0 306.413 3.942 10 10 DHCERN CCOC1=CC(C=O)=CC(=NNc2cccc([N+](=O)[O-])c2)C1=O ZINC000013130755 181831619 /nfs/dbraw/zinc/83/16/19/181831619.db2.gz PPBOPPADCCPTEW-WUKNDPDISA-N 0 0 315.285 3.927 10 10 DHCERN CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000014547711 181957790 /nfs/dbraw/zinc/95/77/90/181957790.db2.gz FWNFQHOWKCCCFT-BXWFABGCSA-N 0 0 319.408 3.658 10 10 DHCERN C/C(NC1CCCCCC1)=C1/C(C)=NN(c2ccccc2)C1=O ZINC000017032339 182070240 /nfs/dbraw/zinc/07/02/40/182070240.db2.gz FFHSFLUVBBTRFX-NBVRZTHBSA-N 0 0 311.429 3.996 10 10 DHCERN Nc1ccc(COCc2cc(F)ccc2Br)cc1 ZINC000019967297 182171584 /nfs/dbraw/zinc/17/15/84/182171584.db2.gz SLBJPGKJAPSCRX-UHFFFAOYSA-N 0 0 310.166 3.887 10 10 DHCERN CCN(C(=O)c1ccc(Br)cc1)c1ccc(N)cc1 ZINC000063113968 184271616 /nfs/dbraw/zinc/27/16/16/184271616.db2.gz JVOGFGZBDGIRRZ-UHFFFAOYSA-N 0 0 319.202 3.698 10 10 DHCERN CN(C)c1ccc(CNc2ccc(OC(F)(F)F)cn2)cc1 ZINC000302351865 336357439 /nfs/dbraw/zinc/35/74/39/336357439.db2.gz YJTMXDXCQDHCFN-UHFFFAOYSA-N 0 0 311.307 3.658 10 10 DHCERN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000127719506 521143939 /nfs/dbraw/zinc/14/39/39/521143939.db2.gz LBZHNJNUWXAFRO-OAHLLOKOSA-N 0 0 318.442 3.975 10 10 DHCERN O=c1cc2[nH]cnc(Nc3cccc(Cl)c3F)c-2cc1O ZINC000090712476 185311096 /nfs/dbraw/zinc/31/10/96/185311096.db2.gz MAHMVNIYVAYDOD-UHFFFAOYSA-N 0 0 305.696 3.577 10 10 DHCERN Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1NCCO ZINC000005160128 181212073 /nfs/dbraw/zinc/21/20/73/181212073.db2.gz XPNPVCPVYKXTJO-ISLYRVAYSA-N 0 0 300.318 3.723 10 10 DHCERN Cc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 ZINC000006064480 181310102 /nfs/dbraw/zinc/31/01/02/181310102.db2.gz LZSDQOWOJTXTGO-GXDHUFHOSA-N 0 0 314.435 3.739 10 10 DHCERN O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 ZINC000014473929 181954297 /nfs/dbraw/zinc/95/42/97/181954297.db2.gz RIBRPNYJLIIJKL-WVQJBOLRSA-N 0 0 324.336 3.833 10 10 DHCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070139 331647236 /nfs/dbraw/zinc/64/72/36/331647236.db2.gz ITFKPEWPMLAADR-CYBMUJFWSA-N 0 0 310.180 3.922 10 10 DHCERN COc1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 ZINC000013639943 181871636 /nfs/dbraw/zinc/87/16/36/181871636.db2.gz PWPXIFMGHLIDRE-LXIYXOSZSA-N 0 0 309.365 3.933 10 10 DHCERN COc1ccc([C@@H]2Nc3c(O)cccc3[C@H]3C=CC[C@H]32)cc1O ZINC000014457093 181952628 /nfs/dbraw/zinc/95/26/28/181952628.db2.gz JCLRRJAUDGSZRT-JCGVRSQUSA-N 0 0 309.365 3.933 10 10 DHCERN Nc1ccc(C[S@](=O)c2cc(Cl)ccc2Cl)cc1 ZINC000042372865 183260522 /nfs/dbraw/zinc/26/05/22/183260522.db2.gz RFLKJEOFJYPKJX-GOSISDBHSA-N 0 0 300.210 3.883 10 10 DHCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000059267208 184136263 /nfs/dbraw/zinc/13/62/63/184136263.db2.gz RCGSYABGPBFABC-CPUCHLNUSA-N 0 0 323.352 3.825 10 10 DHCERN COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 ZINC000059267184 184136591 /nfs/dbraw/zinc/13/65/91/184136591.db2.gz CDJYFDJQABAREX-PSTGCABASA-N 0 0 323.352 3.825 10 10 DHCERN CC(C)[C@H](N[C@H](C)c1ccc(F)cc1O)c1nc(C2CC2)no1 ZINC000186037394 333216714 /nfs/dbraw/zinc/21/67/14/333216714.db2.gz GGRRCUWPJXIGHX-BMIGLBTASA-N 0 0 319.380 3.840 10 10 DHCERN CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1O)c1nc(C2CC2)no1 ZINC000186037355 333216718 /nfs/dbraw/zinc/21/67/18/333216718.db2.gz GGRRCUWPJXIGHX-BONVTDFDSA-N 0 0 319.380 3.840 10 10 DHCERN O=C1C=CC(=[NH+][N-]c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)C=C1 ZINC000100513956 563551389 /nfs/dbraw/zinc/55/13/89/563551389.db2.gz ZVORVIVLISRHLW-FBMGVBCBSA-N 0 0 310.273 3.501 10 10 DHCERN CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000014547190 181957248 /nfs/dbraw/zinc/95/72/48/181957248.db2.gz DDPAJLCWGISRNP-QKLQHJQFSA-N 0 0 319.408 3.891 10 10 DHCERN CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000014547187 181957365 /nfs/dbraw/zinc/95/73/65/181957365.db2.gz DDPAJLCWGISRNP-UWVAXJGDSA-N 0 0 319.408 3.891 10 10 DHCERN COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000014547516 181958021 /nfs/dbraw/zinc/95/80/21/181958021.db2.gz CQTAOXYJFFFTEN-HLIPFELVSA-N 0 0 322.408 3.933 10 10 DHCERN CNC(=O)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000014551531 181959056 /nfs/dbraw/zinc/95/90/56/181959056.db2.gz URCDKNVBLNMHIO-RLFYNMQTSA-N 0 0 304.393 3.873 10 10 DHCERN Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(N)cc1 ZINC000019232677 182110380 /nfs/dbraw/zinc/11/03/80/182110380.db2.gz LBOQFXJYNAAHLI-UHFFFAOYSA-N 0 0 304.777 3.557 10 10 DHCERN C[C@H]1CCN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000180674175 337177235 /nfs/dbraw/zinc/17/72/35/337177235.db2.gz RQHXCBXMYQYKFF-AWEZNQCLSA-N 0 0 304.397 3.986 10 10 DHCERN Cc1c2cc(F)cc(-c3ccc(F)c(F)c3)c2n(C)c1C(N)=O ZINC000584618833 337373295 /nfs/dbraw/zinc/37/32/95/337373295.db2.gz SIRHREXDARLPMM-UHFFFAOYSA-N 0 0 318.298 3.670 10 10 DHCERN COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000013507846 560217683 /nfs/dbraw/zinc/21/76/83/560217683.db2.gz QKHJBWUGXMKHAK-CHWSQXEVSA-N 0 0 316.397 3.869 10 10 DHCERN CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000006311654 181328602 /nfs/dbraw/zinc/32/86/02/181328602.db2.gz KUWRNKOKEWCVCC-OUKQBFOZSA-N 0 0 310.353 3.970 10 10 DHCERN CN(C)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000095081344 193418051 /nfs/dbraw/zinc/41/80/51/193418051.db2.gz DTPDMCKKBYOTCP-UHFFFAOYSA-N 0 0 319.202 3.767 10 10 DHCERN O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 ZINC000013639862 181871908 /nfs/dbraw/zinc/87/19/08/181871908.db2.gz PTTPOMAXOJWARU-PRXAMGSTSA-N 0 0 324.336 3.833 10 10 DHCERN Cc1cccc([C@@H]2Nc3c(C(N)=O)cccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479866 181955640 /nfs/dbraw/zinc/95/56/40/181955640.db2.gz MVDQFAAOTFVLPM-MPGHIAIKSA-N 0 0 304.393 3.920 10 10 DHCERN Cc1cccc([C@H]2Nc3ccc(C(N)=O)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014479839 181955403 /nfs/dbraw/zinc/95/54/03/181955403.db2.gz JYIDJXQSJUXBTO-FRQCXROJSA-N 0 0 304.393 3.920 10 10 DHCERN CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C)cc1 ZINC000015249130 181992759 /nfs/dbraw/zinc/99/27/59/181992759.db2.gz NNZUFVXJGIGRGW-SFHVURJKSA-N 0 0 309.413 3.729 10 10 DHCERN Cc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)n1 ZINC000017163036 182077653 /nfs/dbraw/zinc/07/76/53/182077653.db2.gz HBXDHLSUBSYLKG-UVTDQMKNSA-N 0 0 312.419 3.796 10 10 DHCERN Nc1ccc(COCc2ccc(F)c(Br)c2)cc1 ZINC000019967296 182171815 /nfs/dbraw/zinc/17/18/15/182171815.db2.gz OTZGSBXAKAGHDN-UHFFFAOYSA-N 0 0 310.166 3.887 10 10 DHCERN CCN1C(=O)/C(=C\c2ccc3cc(C)ccc3n2)SC1=S ZINC000020414014 182215956 /nfs/dbraw/zinc/21/59/56/182215956.db2.gz JJONPUGLJMZRDP-NTEUORMPSA-N 0 0 314.435 3.764 10 10 DHCERN CC(C)c1nc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000127751141 519867339 /nfs/dbraw/zinc/86/73/39/519867339.db2.gz LPOXQJMQZILZLI-INIZCTEOSA-N 0 0 314.433 3.596 10 10 DHCERN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](O)CCC2(C)C ZINC000014719978 563912516 /nfs/dbraw/zinc/91/25/16/563912516.db2.gz UPCWCCRFMPIOAP-GFCCVEGCSA-N 0 0 310.349 3.739 10 10 endogenous,in-man DHCERN Cc1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 ZINC000013639816 181871875 /nfs/dbraw/zinc/87/18/75/181871875.db2.gz PWFMNUCQOKMLRP-VEVIJQCQSA-N 0 0 309.365 3.938 10 10 DHCERN COC(=O)c1sccc1/N=N/c1ccsc1C(=O)OC ZINC000584660863 337378300 /nfs/dbraw/zinc/37/83/00/337378300.db2.gz FZRIHMMYKQDSLF-BUHFOSPRSA-N 0 0 310.356 3.798 10 10 DHCERN CN(C)c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000127616913 522176742 /nfs/dbraw/zinc/17/67/42/522176742.db2.gz CHBRCJHCVHXUSG-MRXNPFEDSA-N 0 0 301.459 3.936 10 10 DHCERN CCn1cc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000179979684 523356829 /nfs/dbraw/zinc/35/68/29/523356829.db2.gz ZKLBBQPOTFHKRG-UHFFFAOYSA-N 0 0 319.836 3.642 10 10 DHCERN CC[C@@H]1SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000003615425 181041596 /nfs/dbraw/zinc/04/15/96/181041596.db2.gz IGEXBPYVZHEQMM-VIFPVBQESA-N 0 0 316.245 3.592 10 10 DHCERN COc1ccccc1[C@@H]1Nc2c(C(N)=O)cccc2[C@H]2C=CC[C@@H]21 ZINC000014545967 181957180 /nfs/dbraw/zinc/95/71/80/181957180.db2.gz KJRAKDRULMDOQD-ZJNRKIDTSA-N 0 0 320.392 3.621 10 10 DHCERN CCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017054986 182072840 /nfs/dbraw/zinc/07/28/40/182072840.db2.gz BPQGDHOMFGFZDY-OBGWFSINSA-N 0 0 319.408 3.711 10 10 DHCERN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(O)c1O ZINC000040567107 183103779 /nfs/dbraw/zinc/10/37/79/183103779.db2.gz IRWHIFFBDPTIFX-UHFFFAOYSA-N 0 0 320.757 3.613 10 10 DHCERN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000059267210 184136529 /nfs/dbraw/zinc/13/65/29/184136529.db2.gz SXQGNZRWBGBQJY-CPUCHLNUSA-N 0 0 323.352 3.825 10 10 DHCERN CCS(=O)(=O)c1ccccc1Nc1ccc2c(c1)CCCN2 ZINC000262030293 331835779 /nfs/dbraw/zinc/83/57/79/331835779.db2.gz YSIPVAVOZQFAGJ-UHFFFAOYSA-N 0 0 316.426 3.582 10 10 DHCERN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170789642 332636694 /nfs/dbraw/zinc/63/66/94/332636694.db2.gz DDOHIQOEVIRXAE-RYUDHWBXSA-N 0 0 319.376 3.960 10 10 DHCERN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](O)CCC2(C)C ZINC000014719976 563912605 /nfs/dbraw/zinc/91/26/05/563912605.db2.gz UPCWCCRFMPIOAP-LBPRGKRZSA-N 0 0 310.349 3.739 10 10 endogenous,in-man DHCERN CCC(CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005454769 181245400 /nfs/dbraw/zinc/24/54/00/181245400.db2.gz WZGTXXJPVNIVEQ-UHFFFAOYSA-N 0 0 321.376 3.837 10 10 DHCERN COc1cc(/C=C\c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000013823935 181903315 /nfs/dbraw/zinc/90/33/15/181903315.db2.gz PHDDAWSHQWUPPP-SREVYHEPSA-N 0 0 313.397 3.949 10 10 DHCERN NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000014549577 181958360 /nfs/dbraw/zinc/95/83/60/181958360.db2.gz KLAMEHGAXZHYTF-MPGHIAIKSA-N 0 0 308.356 3.751 10 10 DHCERN COc1ccc(C2=NN[C@@H](c3cc(C(C)C)ccc3O)C2)cc1 ZINC000020390376 182213690 /nfs/dbraw/zinc/21/36/90/182213690.db2.gz LEJZPSSCRGQTSE-GOSISDBHSA-N 0 0 310.397 3.963 10 10 DHCERN COc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12 ZINC000040354184 183056247 /nfs/dbraw/zinc/05/62/47/183056247.db2.gz JKNJQTKZCLYMLA-UHFFFAOYSA-N 0 0 307.349 3.692 10 10 DHCERN COc1ccc(COc2ccc(N)cc2)cc1Br ZINC000049595690 183745335 /nfs/dbraw/zinc/74/53/35/183745335.db2.gz QFEFWXGFUUPFST-UHFFFAOYSA-N 0 0 308.175 3.619 10 10 DHCERN Oc1ccc(/C=C/CC[C@H](O)CCc2ccc(O)c(O)c2)cc1 ZINC000064503465 184298793 /nfs/dbraw/zinc/29/87/93/184298793.db2.gz RECNHCLFPNYLCU-VQRJYJFOSA-N 0 0 314.381 3.591 10 10 biogenic,in-vitro DHCERN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000170789646 332636681 /nfs/dbraw/zinc/63/66/81/332636681.db2.gz DDOHIQOEVIRXAE-NWDGAFQWSA-N 0 0 319.376 3.960 10 10 DHCERN Cc1ccc(O)c(CN2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000127862040 525341701 /nfs/dbraw/zinc/34/17/01/525341701.db2.gz DOESRZWSGWLYKV-AWEZNQCLSA-N 0 0 301.390 3.544 10 10 DHCERN Cc1ccsc1[C@@H]1Nc2ccc(C(N)=O)cc2[C@H]2C=CC[C@@H]21 ZINC000013645599 181873329 /nfs/dbraw/zinc/87/33/29/181873329.db2.gz NQMUYAAZFFYSFS-HEHGZKQESA-N 0 0 310.422 3.982 10 10 DHCERN O=C(COC(=O)C1CC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018168587 182095590 /nfs/dbraw/zinc/09/55/90/182095590.db2.gz UEGFVGOEWBSEFF-QZQOTICOSA-N 0 0 323.352 3.994 10 10 DHCERN COc1ccc(Cl)cc1NC(=O)CCc1ccc(N)cc1 ZINC000020186759 182195509 /nfs/dbraw/zinc/19/55/09/182195509.db2.gz QPVKNAXWPSHFHS-UHFFFAOYSA-N 0 0 304.777 3.502 10 10 DHCERN O=C1NC(=S)C(=Cc2ccc(Br)cc2)S1 ZINC000043014164 183327810 /nfs/dbraw/zinc/32/78/10/183327810.db2.gz NXUMSCUKUIKFSC-YVMONPNESA-N 0 0 300.202 3.574 10 10 DHCERN COc1ccc(C(=O)C=C(S)c2ccc(OC)cc2)cc1 ZINC000004754117 563328561 /nfs/dbraw/zinc/32/85/61/563328561.db2.gz XIULSMIYRWFPGT-UHFFFAOYSA-N 0 0 300.379 3.695 10 10 DHCERN