smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(/C=N/n2cnnc2)c2ccccc12 ZINC000685937768 538763082 /nfs/dbraw/zinc/76/30/82/538763082.db2.gz QBJUIWDQFZKVOY-FRKPEAEDSA-N -1 3 238.250 2.019 40 30 BEEBHM [O-]c1cc(O)ccc1/C=N/N=C/c1ccco1 ZINC000001709381 183265863 /nfs/dbraw/zinc/26/58/63/183265863.db2.gz ISYYCVGFJSIOIJ-FNCQTZNRSA-N -1 3 230.223 2.144 40 30 BEEBHM [O-]/N=C(/c1ccccc1)n1nnc2ccccc21 ZINC000005758848 384129645 /nfs/dbraw/zinc/12/96/45/384129645.db2.gz QSLWROLPHULRBM-SQFISAMPSA-N -1 3 238.250 2.115 40 30 BEEBHM CC(C)Oc1ccc(Cl)cc1/C(N)=N\[O-] ZINC000052860799 259372714 /nfs/dbraw/zinc/37/27/14/259372714.db2.gz QPKPUXJOWCOCJF-UHFFFAOYSA-N -1 3 228.679 2.222 40 30 BEEBHM Cc1nn(C)c(C)c1/N=C/c1ccccc1[O-] ZINC000059475498 191134807 /nfs/dbraw/zinc/13/48/07/191134807.db2.gz IUWOUEMHTXHMEC-RIYZIHGNSA-N -1 3 229.283 2.493 40 30 BEEBHM CC(C)C(=O)NC(=S)[N-]c1ccccc1C#N ZINC000009064097 370408694 /nfs/dbraw/zinc/40/86/94/370408694.db2.gz MHEGKKCMYAKADY-UHFFFAOYSA-N -1 3 247.323 2.027 40 30 BEEBHM O=C(C=N[N-]c1ccccn1)c1ccccc1 ZINC000101008342 384660981 /nfs/dbraw/zinc/66/09/81/384660981.db2.gz OCRRDGJTWVYFAO-GDNBJRDFSA-N -1 3 225.251 2.362 40 30 BEEBHM [O-]/N=C(/CN1CCCCC1)c1ccccc1 ZINC000061952995 385148635 /nfs/dbraw/zinc/14/86/35/385148635.db2.gz ONQHVDKNKWGSIH-YPKPFQOOSA-N -1 3 218.300 2.351 40 30 BEEBHM N#CC=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000228943937 526442725 /nfs/dbraw/zinc/44/27/25/526442725.db2.gz LHZKCPQVNPRSEU-UHFFFAOYSA-N -1 3 224.603 2.345 40 30 BEEBHM C=CCOc1ccc(/C=N/[O-])cc1OCC ZINC000013747128 136217379 /nfs/dbraw/zinc/21/73/79/136217379.db2.gz CUVJGLJAWRBRNL-UKTHLTGXSA-N -1 3 221.256 2.458 40 30 BEEBHM Cc1cc(C)nc(/N=C/c2ccc([O-])cc2O)n1 ZINC000005541379 342765454 /nfs/dbraw/zinc/76/54/54/342765454.db2.gz LMRNIKOUAMTFGZ-VGOFMYFVSA-N -1 3 243.266 2.255 40 30 BEEBHM Cc1cc(C)nc(/N=C/c2ccc(O)cc2[O-])n1 ZINC000005541379 342765456 /nfs/dbraw/zinc/76/54/56/342765456.db2.gz LMRNIKOUAMTFGZ-VGOFMYFVSA-N -1 3 243.266 2.255 40 30 BEEBHM CC(C)Cc1ccc([C@H](C)C(=O)N[O-])cc1 ZINC000000000381 187924265 /nfs/dbraw/zinc/92/42/65/187924265.db2.gz BYPIURIATSUHDW-JTQLQIEISA-N -1 3 221.300 2.494 40 30 in-man BEEBHM N#Cc1c(=O)[n-]cc2c1CCCCCC2 ZINC000253536545 411300850 /nfs/dbraw/zinc/30/08/50/411300850.db2.gz VJWZKRAKLRGELO-UHFFFAOYSA-N -1 3 202.257 2.318 40 30 BEEBHM Cc1nn(C)c(Oc2ccccc2)c1/C=N/[O-] ZINC000100040967 527680391 /nfs/dbraw/zinc/68/03/91/527680391.db2.gz AKGVMZJNWXUJBJ-MDWZMJQESA-N -1 3 231.255 2.329 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1ccccc1Cl ZINC000073242750 398196326 /nfs/dbraw/zinc/19/63/26/398196326.db2.gz CLSANRCUPZHXGH-GGDONCSHSA-N -1 3 239.662 2.242 40 30 BEEBHM Cc1sc(NN=Cc2ccc(C)cc2)nc1[O-] ZINC000036643824 178358282 /nfs/dbraw/zinc/35/82/82/178358282.db2.gz FXOJIDOCZGEJQC-NTUHNPAUSA-N -1 3 247.323 2.333 40 30 BEEBHM C/C(CC(O)(C(F)(F)F)C(F)(F)F)=N\[O-] ZINC000016958414 342917832 /nfs/dbraw/zinc/91/78/32/342917832.db2.gz JHARULSMJVOMKF-QLKAYGNNSA-N -1 3 239.115 2.082 40 30 BEEBHM CCCOc1ccc(Cl)cc1/C(N)=N\[O-] ZINC000052860844 259372671 /nfs/dbraw/zinc/37/26/71/259372671.db2.gz NLYWGOQMARVLNR-UHFFFAOYSA-N -1 3 228.679 2.223 40 30 BEEBHM NC(=O)c1ccccc1/N=C\c1ccccc1[O-] ZINC000101498982 191064735 /nfs/dbraw/zinc/06/47/35/191064735.db2.gz QKIRYDVOAWCTIC-SXGWCWSVSA-N -1 3 240.262 2.242 40 30 BEEBHM O=C([N-]O)c1c(Cl)cccc1Cl ZINC000006270354 182280657 /nfs/dbraw/zinc/28/06/57/182280657.db2.gz HTHGXNHSGMWYMO-UHFFFAOYSA-N -1 3 206.028 2.112 40 30 BEEBHM Nc1ccc2c(c1)/C(=N\[O-])c1ccccc1-2 ZINC000100596497 384335964 /nfs/dbraw/zinc/33/59/64/384335964.db2.gz RDXYSYYKBYOZFZ-SQFISAMPSA-N -1 3 210.236 2.476 40 30 BEEBHM [O-]/N=C(\c1ccccc1)n1nnc2ccccc21 ZINC000104264815 384819128 /nfs/dbraw/zinc/81/91/28/384819128.db2.gz QSLWROLPHULRBM-FYWRMAATSA-N -1 3 238.250 2.115 40 30 BEEBHM N#CC=C([O-])c1cc(Br)ccc1O ZINC000228939907 526443609 /nfs/dbraw/zinc/44/36/09/526443609.db2.gz ZYWPQWJWZWTBHK-UHFFFAOYSA-N -1 3 240.056 2.251 40 30 BEEBHM Cc1cc([O-])ccc1N=C1C=CC(=O)C=C1 ZINC000004416660 342747609 /nfs/dbraw/zinc/74/76/09/342747609.db2.gz JDVNCLNMQFTTLI-UHFFFAOYSA-N -1 3 213.236 2.468 40 30 BEEBHM C/C(=N\[O-])c1cc(Br)ccc1N ZINC000017323733 342923651 /nfs/dbraw/zinc/92/36/51/342923651.db2.gz OSKADVORXDUYQM-VZUCSPMQSA-N -1 3 229.077 2.230 40 30 BEEBHM C=CCc1cc(C(=O)OCC)cc(OC)c1[O-] ZINC000001747266 187364229 /nfs/dbraw/zinc/36/42/29/187364229.db2.gz VIYOHUMAPDZGNO-UHFFFAOYSA-N -1 3 236.267 2.306 40 30 BEEBHM CC(=N\[O-])/C(C)=N\OCc1ccccc1 ZINC000109253771 188325845 /nfs/dbraw/zinc/32/58/45/188325845.db2.gz VZYIIAMRZFWXIP-FMYPVGJQSA-N -1 3 206.245 2.429 40 30 BEEBHM [O-]c1ccccc1/C=N\N=C/c1ccco1 ZINC000012495445 183300663 /nfs/dbraw/zinc/30/06/63/183300663.db2.gz HQSCCLHQZAVYPN-QKPPEBSVSA-N -1 3 214.224 2.438 40 30 BEEBHM C/C(CC(O)(C(F)(F)F)C(F)(F)F)=N/[O-] ZINC000101149231 384666192 /nfs/dbraw/zinc/66/61/92/384666192.db2.gz JHARULSMJVOMKF-DXNYSGJVSA-N -1 3 239.115 2.082 40 30 BEEBHM [O-]/N=C\c1cccc(Br)c1 ZINC000100420304 384639515 /nfs/dbraw/zinc/63/95/15/384639515.db2.gz DBGBMIPNNIZQNN-UITAMQMPSA-N -1 3 200.035 2.257 40 30 BEEBHM C=CCc1cc(C=N[O-])cc(OCC)c1O ZINC000408851551 385346132 /nfs/dbraw/zinc/34/61/32/385346132.db2.gz CSIXCPHFVWGSLN-UHFFFAOYSA-N -1 3 221.256 2.328 40 30 BEEBHM Cn1cccc1/C=N\c1ccccc1[O-] ZINC000409094982 385472746 /nfs/dbraw/zinc/47/27/46/385472746.db2.gz ASGMEUMIYLMLNC-LCYFTJDESA-N -1 3 200.241 2.481 40 30 BEEBHM C=CCNCc1cn(CC(=O)[O-])c2ccccc12 ZINC000062717173 388655993 /nfs/dbraw/zinc/65/59/93/388655993.db2.gz YWAVTLNSFLILSD-UHFFFAOYSA-N -1 3 244.294 2.002 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1ccccc1Cl ZINC000073242749 398196341 /nfs/dbraw/zinc/19/63/41/398196341.db2.gz CLSANRCUPZHXGH-PFDFUCPSSA-N -1 3 239.662 2.242 40 30 BEEBHM Cc1nonc1/N=C/c1cc(Cl)ccc1[O-] ZINC000005378442 342762777 /nfs/dbraw/zinc/76/27/77/342762777.db2.gz WDOOLRLOAMTCGP-LFYBBSHMSA-N -1 3 237.646 2.488 40 30 BEEBHM N/N=C1\c2ccccc2-c2cc([O-])ccc21 ZINC000016921793 181185368 /nfs/dbraw/zinc/18/53/68/181185368.db2.gz HJPKVQRNIUKMAS-FYWRMAATSA-N -1 3 210.236 2.084 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1cccc(Cl)c1 ZINC000104287967 384817304 /nfs/dbraw/zinc/81/73/04/384817304.db2.gz IHDMFEMOJNFNTD-YRKODCDWSA-N -1 3 239.662 2.242 40 30 BEEBHM N#CC=C([O-])c1ccccc1OCC(F)F ZINC000169799858 181034828 /nfs/dbraw/zinc/03/48/28/181034828.db2.gz BAROGDXXWKXBSE-UHFFFAOYSA-N -1 3 225.194 2.427 40 30 BEEBHM N/N=C1/c2ccccc2-c2c1cccc2[O-] ZINC000104102095 181184865 /nfs/dbraw/zinc/18/48/65/181184865.db2.gz DFQIKIMTGYSHJG-SQFISAMPSA-N -1 3 210.236 2.084 40 30 BEEBHM [O-]c1cc(O)ccc1/C=N/N=C\c1ccco1 ZINC000016919283 183265684 /nfs/dbraw/zinc/26/56/84/183265684.db2.gz ISYYCVGFJSIOIJ-GUZOQHLSSA-N -1 3 230.223 2.144 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1cccc(Cl)c1 ZINC000073292315 384246252 /nfs/dbraw/zinc/24/62/52/384246252.db2.gz IHDMFEMOJNFNTD-PFDFUCPSSA-N -1 3 239.662 2.242 40 30 BEEBHM COc1ccc(/C=N/N=C\c2ccco2)c([O-])c1 ZINC000016919326 175048828 /nfs/dbraw/zinc/04/88/28/175048828.db2.gz WCDQEGRDRRKDHX-YVKOIJOCSA-N -1 3 244.250 2.447 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1ccccc1Cl ZINC000104288009 187292361 /nfs/dbraw/zinc/29/23/61/187292361.db2.gz CLSANRCUPZHXGH-MVKFKNQPSA-N -1 3 239.662 2.242 40 30 BEEBHM N/N=C1/c2ccccc2-c2ccc([O-])cc21 ZINC000104102088 181184951 /nfs/dbraw/zinc/18/49/51/181184951.db2.gz VSWHGAKTEAGPKF-SQFISAMPSA-N -1 3 210.236 2.084 40 30 BEEBHM [O-]c1cc(O)ccc1/C=N\N=C\c1ccco1 ZINC000073106027 183268214 /nfs/dbraw/zinc/26/82/14/183268214.db2.gz ISYYCVGFJSIOIJ-MFUUIURDSA-N -1 3 230.223 2.144 40 30 BEEBHM [O-]c1ccccc1/C=N/N=C/c1ccco1 ZINC000001709261 183299483 /nfs/dbraw/zinc/29/94/83/183299483.db2.gz HQSCCLHQZAVYPN-UQNWOCKMSA-N -1 3 214.224 2.438 40 30 BEEBHM [O-]c1ccccc1/C=N\N=C\c1ccco1 ZINC000005030316 183299731 /nfs/dbraw/zinc/29/97/31/183299731.db2.gz HQSCCLHQZAVYPN-NBPWYHHBSA-N -1 3 214.224 2.438 40 30 BEEBHM [O-]/N=C/c1csc(Br)c1 ZINC000091351743 384119789 /nfs/dbraw/zinc/11/97/89/384119789.db2.gz WZEHQWLBOVYNNX-FARCUNLSSA-N -1 3 206.064 2.319 40 30 BEEBHM Cc1cc(C=O)c([O-])c(C2(C#N)CC2)c1 ZINC000238521663 384588431 /nfs/dbraw/zinc/58/84/31/384588431.db2.gz QVLAHJUIAHQOSI-UHFFFAOYSA-N -1 3 201.225 2.068 40 30 BEEBHM O=C(CN(c1ccccc1)c1ccccc1)N[O-] ZINC000217593737 388377843 /nfs/dbraw/zinc/37/78/43/388377843.db2.gz AYZGWHCKPPFHLA-UHFFFAOYSA-N -1 3 242.278 2.330 40 30 BEEBHM CCOc1cc(Br)cc(C#N)c1[O-] ZINC000225290322 388641311 /nfs/dbraw/zinc/64/13/11/388641311.db2.gz AHBXXCKKTBMTIW-UHFFFAOYSA-N -1 3 242.072 2.425 40 30 BEEBHM C=CCNC(=O)c1ccc2[n-]c(Cl)nc2c1 ZINC000225976372 166393222 /nfs/dbraw/zinc/39/32/22/166393222.db2.gz JVZLQWIJWOUJAU-UHFFFAOYSA-N -1 3 235.674 2.132 40 30 BEEBHM CCn1ncc(C([O-])=CC(=O)C(F)F)c1C ZINC000101372116 191064289 /nfs/dbraw/zinc/06/42/89/191064289.db2.gz XOJHSUVZQYTFPW-WTKPLQERSA-N -1 3 230.214 2.101 40 30 BEEBHM CCn1ncc(C(=O)C=C([O-])C(F)F)c1C ZINC000101372116 191064292 /nfs/dbraw/zinc/06/42/92/191064292.db2.gz XOJHSUVZQYTFPW-WTKPLQERSA-N -1 3 230.214 2.101 40 30 BEEBHM C=CCc1cc(C(C)=O)cc(OC)c1[O-] ZINC000001747256 355913225 /nfs/dbraw/zinc/91/32/25/355913225.db2.gz CHHFXWGARSXQNF-UHFFFAOYSA-N -1 3 206.241 2.332 40 30 BEEBHM [O-]/N=C(/N/N=C/c1ccccc1)c1ccccc1 ZINC000001704258 383926199 /nfs/dbraw/zinc/92/61/99/383926199.db2.gz HLMFBJYRHDIWFZ-RVDMUPIBSA-N -1 3 239.278 2.446 40 30 BEEBHM CCCCCCN=Nc1nc(C)cc(=O)[n-]1 ZINC000008617661 384205914 /nfs/dbraw/zinc/20/59/14/384205914.db2.gz XQJXFRREHXVMNQ-GHXNOFRVSA-N -1 3 222.292 2.469 40 30 BEEBHM C=CCSc1nc2oc(C)c(C)c2c(=O)[n-]1 ZINC000036644070 384382068 /nfs/dbraw/zinc/38/20/68/384382068.db2.gz BANRGBODZXZKOM-UHFFFAOYSA-N -1 3 236.296 2.411 40 30 BEEBHM CCOP(=O)(OCC)/C(CC)=N\[O-] ZINC000017431075 384488631 /nfs/dbraw/zinc/48/86/31/384488631.db2.gz KVMJAAQWDSXDJW-FPLPWBNLSA-N -1 3 209.182 2.450 40 30 BEEBHM C=CCOc1ccc(/C=N\[O-])cc1OC ZINC000100208925 384623224 /nfs/dbraw/zinc/62/32/24/384623224.db2.gz GMHRAURMIAZAOE-WQLSENKSSA-N -1 3 207.229 2.068 40 30 BEEBHM C/C(=N/[O-])c1cc(Br)ccc1N ZINC000104387432 384823873 /nfs/dbraw/zinc/82/38/73/384823873.db2.gz OSKADVORXDUYQM-WZUFQYTHSA-N -1 3 229.077 2.230 40 30 BEEBHM O=C1C=Cc2ccccc2C1=N[N-]c1ccccn1 ZINC000106121651 384918497 /nfs/dbraw/zinc/91/84/97/384918497.db2.gz RAXUMGMWXZYADR-OBGWFSINSA-N -1 3 249.273 2.494 40 30 BEEBHM Nc1cccc2c1-c1ccccc1/C2=N/[O-] ZINC000104081799 384924405 /nfs/dbraw/zinc/92/44/05/384924405.db2.gz XRZSNPWPEMEVHA-SQFISAMPSA-N -1 3 210.236 2.476 40 30 BEEBHM NC(=N[O-])c1ccc(C(=O)c2ccccc2)cc1 ZINC000409181432 385503506 /nfs/dbraw/zinc/50/35/06/385503506.db2.gz CKMDFFQTWGMBJR-UHFFFAOYSA-N -1 3 240.262 2.012 40 30 BEEBHM [O-]C1=CCC=C(O)C1c1nc2ccccc2[nH]1 ZINC000010385514 342835942 /nfs/dbraw/zinc/83/59/42/342835942.db2.gz CJCVHVMALPRPIL-UHFFFAOYSA-N -1 3 228.251 2.058 40 30 BEEBHM Nc1ccc2c(c1)/C(=N/[O-])c1ccccc1-2 ZINC000022241173 343045302 /nfs/dbraw/zinc/04/53/02/343045302.db2.gz RDXYSYYKBYOZFZ-FYWRMAATSA-N -1 3 210.236 2.476 40 30 BEEBHM C=CCc1cnc(-c2ccccc2)[n-]c1=O ZINC000018206768 187370614 /nfs/dbraw/zinc/37/06/14/187370614.db2.gz FXPLNQKXISMRHO-UHFFFAOYSA-N -1 3 212.252 2.165 40 30 BEEBHM N#CC=C([O-])c1cccc(OCC(F)F)c1 ZINC000169799863 181034825 /nfs/dbraw/zinc/03/48/25/181034825.db2.gz NESZJZSNIFEQPH-UHFFFAOYSA-N -1 3 225.194 2.427 40 30 BEEBHM CC(C)Cc1ccc([C@@H](C)C(=O)N[O-])cc1 ZINC000005284667 384110153 /nfs/dbraw/zinc/11/01/53/384110153.db2.gz BYPIURIATSUHDW-SNVBAGLBSA-N -1 3 221.300 2.494 40 30 in-man BEEBHM C#CCOc1c(CC=C)cc(/C=N/[O-])cc1OC ZINC000409071775 385469692 /nfs/dbraw/zinc/46/96/92/385469692.db2.gz SFMMXARYQFQPDM-XNTDXEJSSA-N -1 3 245.278 2.244 40 30 BEEBHM COc1ccc(/C=N/[O-])cc1Br ZINC000011799830 175049109 /nfs/dbraw/zinc/04/91/09/175049109.db2.gz PLVAXUFKSBKJPC-BJMVGYQFSA-N -1 3 230.061 2.266 40 30 BEEBHM CC(=N[O-])c1ccc2[nH]c(C)cc(=O)c2c1 ZINC000104129527 188151105 /nfs/dbraw/zinc/15/11/05/188151105.db2.gz ROADMXHYWUWWBZ-RIYZIHGNSA-N -1 3 216.240 2.447 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1cccc(Cl)c1 ZINC000104287960 188151306 /nfs/dbraw/zinc/15/13/06/188151306.db2.gz IHDMFEMOJNFNTD-MVKFKNQPSA-N -1 3 239.662 2.242 40 30 BEEBHM N/N=C1\c2ccccc2-c2ccc([O-])cc21 ZINC000016921788 181185169 /nfs/dbraw/zinc/18/51/69/181185169.db2.gz VSWHGAKTEAGPKF-FYWRMAATSA-N -1 3 210.236 2.084 40 30 BEEBHM N/N=C1/c2ccccc2-c2cccc([O-])c21 ZINC000104102084 181185344 /nfs/dbraw/zinc/18/53/44/181185344.db2.gz QKBYBVVQVAIOPI-SQFISAMPSA-N -1 3 210.236 2.084 40 30 BEEBHM N/N=C1/c2ccccc2-c2cc([O-])ccc21 ZINC000104102092 181185562 /nfs/dbraw/zinc/18/55/62/181185562.db2.gz HJPKVQRNIUKMAS-SQFISAMPSA-N -1 3 210.236 2.084 40 30 BEEBHM N#Cc1cnccc1Oc1cccc([O-])c1 ZINC000260116580 538837830 /nfs/dbraw/zinc/83/78/30/538837830.db2.gz QPEQPWHOIPGSRK-UHFFFAOYSA-N -1 3 212.208 2.451 40 30 BEEBHM CCn1cc(C([O-])=CC(=O)C(F)F)c(C)n1 ZINC000101372136 191117997 /nfs/dbraw/zinc/11/79/97/191117997.db2.gz LCELFFMZJNMHHB-WTKPLQERSA-N -1 3 230.214 2.101 40 30 BEEBHM CCn1cc(C(=O)C=C([O-])C(F)F)c(C)n1 ZINC000101372136 191118001 /nfs/dbraw/zinc/11/80/01/191118001.db2.gz LCELFFMZJNMHHB-WTKPLQERSA-N -1 3 230.214 2.101 40 30 BEEBHM [O-]c1ccccc1/C=N/N=C\c1ccco1 ZINC000012495451 183300622 /nfs/dbraw/zinc/30/06/22/183300622.db2.gz HQSCCLHQZAVYPN-MGDWIPCISA-N -1 3 214.224 2.438 40 30 BEEBHM C/C(=N/[O-])c1ccc2[nH]c(C)cc(=O)c2c1 ZINC000016954231 384476898 /nfs/dbraw/zinc/47/68/98/384476898.db2.gz ROADMXHYWUWWBZ-ZSOIEALJSA-N -1 3 216.240 2.035 40 30 BEEBHM CCOc1ccc(/C=N\[O-])cc1OCC ZINC000100250365 384628167 /nfs/dbraw/zinc/62/81/67/384628167.db2.gz OFCAPZRZWWAZEC-WQLSENKSSA-N -1 3 209.245 2.292 40 30 BEEBHM COc1ccc(/C(=N/N)c2ccccc2)c([O-])c1 ZINC000005513200 175045430 /nfs/dbraw/zinc/04/54/30/175045430.db2.gz RFHBUYJLQBZMLR-JQIJEIRASA-N -1 3 242.278 2.112 40 30 BEEBHM COc1ccc(/C=N\N=C/c2ccco2)c([O-])c1 ZINC000008637417 175049671 /nfs/dbraw/zinc/04/96/71/175049671.db2.gz WCDQEGRDRRKDHX-SFGFDRCGSA-N -1 3 244.250 2.447 40 30 BEEBHM Nc1ccc2c(c1)C(=N[O-])c1cc(N)ccc1-2 ZINC000001699698 342710045 /nfs/dbraw/zinc/71/00/45/342710045.db2.gz FCMKXNHOFNBHLB-UHFFFAOYSA-N -1 3 225.251 2.058 40 30 BEEBHM N#Cc1cnccc1Nc1cccc([O-])c1 ZINC000260599787 538846872 /nfs/dbraw/zinc/84/68/72/538846872.db2.gz YIDKJIOTSGCXPX-UHFFFAOYSA-N -1 3 211.224 2.402 40 30 BEEBHM [O-]c1cc(O)ccc1/C=N\N=C/c1ccco1 ZINC000008637409 183267260 /nfs/dbraw/zinc/26/72/60/183267260.db2.gz ISYYCVGFJSIOIJ-PVRNWPCDSA-N -1 3 230.223 2.144 40 30 BEEBHM [O-]c1ccc(/C=N/c2nccs2)c(O)c1 ZINC000000123449 183267353 /nfs/dbraw/zinc/26/73/53/183267353.db2.gz BIPYEPDCLVYFRD-WUXMJOGZSA-N -1 3 220.253 2.305 40 30 BEEBHM [O-]c1cc(O)ccc1/C=N/c1nccs1 ZINC000000123449 183267354 /nfs/dbraw/zinc/26/73/54/183267354.db2.gz BIPYEPDCLVYFRD-WUXMJOGZSA-N -1 3 220.253 2.305 40 30 BEEBHM C#CCOc1c(Cl)cc(/C=N\[O-])cc1OC ZINC000012729802 384336053 /nfs/dbraw/zinc/33/60/53/384336053.db2.gz OUWRHUPJNGGXOW-QPEQYQDCSA-N -1 3 239.658 2.169 40 30 BEEBHM C=CCc1cc(/C=N/[O-])cc(OC)c1OC ZINC000409066580 385466534 /nfs/dbraw/zinc/46/65/34/385466534.db2.gz BYLXTDHJRBBEPO-MDWZMJQESA-N -1 3 221.256 2.240 40 30 BEEBHM Cn1cccc1/C=N/c1ccc([O-])cc1 ZINC000409089397 385473789 /nfs/dbraw/zinc/47/37/89/385473789.db2.gz NMAQAZMPWYRWMP-UKTHLTGXSA-N -1 3 200.241 2.481 40 30 BEEBHM Cc1cn2c(/C=N/[O-])c(Cl)nc2s1 ZINC000208751603 398196464 /nfs/dbraw/zinc/19/64/64/398196464.db2.gz BBDLZRJXZPXIFE-XNWCZRBMSA-N -1 3 215.665 2.166 40 30 BEEBHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N[O-] ZINC000226290799 192027507 /nfs/dbraw/zinc/02/75/07/192027507.db2.gz AFBZLEHHQFDFMS-UHFFFAOYSA-N -1 3 229.663 2.003 40 30 BEEBHM Nc1cccc2c1-c1ccccc1/C2=N\[O-] ZINC000017420361 342924854 /nfs/dbraw/zinc/92/48/54/342924854.db2.gz XRZSNPWPEMEVHA-FYWRMAATSA-N -1 3 210.236 2.476 40 30 BEEBHM N/C(=N/[O-])c1ccc(C(F)(F)F)cc1Cl ZINC000199758832 363186520 /nfs/dbraw/zinc/18/65/20/363186520.db2.gz HTKZIYKOFGWGJU-UHFFFAOYSA-N -1 3 238.596 2.453 40 30 BEEBHM O=C(N[O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000226290089 182280350 /nfs/dbraw/zinc/28/03/50/182280350.db2.gz UXINCXZYTVVOKP-UHFFFAOYSA-N -1 3 221.187 2.205 40 30 BEEBHM COc1cc(/C=N\[O-])cc(Cl)c1OC ZINC000100250217 384627549 /nfs/dbraw/zinc/62/75/49/384627549.db2.gz BCUGMLNKGHDQES-WZUFQYTHSA-N -1 3 215.636 2.165 40 30 BEEBHM C#CCOc1c2ccccc2oc1C(=O)[O-] ZINC000096510804 385245883 /nfs/dbraw/zinc/24/58/83/385245883.db2.gz WMLHHDUGRLGTLQ-UHFFFAOYSA-N -1 3 216.192 2.143 40 30 BEEBHM CC1=NOC(=O)/C1=C\c1cc(Cl)ccc1[O-] ZINC000409079837 385470947 /nfs/dbraw/zinc/47/09/47/385470947.db2.gz BQLKRJMEXJHULZ-UITAMQMPSA-N -1 3 237.642 2.362 40 30 BEEBHM COc1cc(N2CCCCC2)ccc1C=N[O-] ZINC000409241414 385524044 /nfs/dbraw/zinc/52/40/44/385524044.db2.gz NEPTYGWYDYQWHA-UHFFFAOYSA-N -1 3 234.299 2.494 40 30 BEEBHM COc1ccc(/C=N\N=C\c2ccco2)c([O-])c1 ZINC000016919330 175049536 /nfs/dbraw/zinc/04/95/36/175049536.db2.gz WCDQEGRDRRKDHX-DJJIWSAGSA-N -1 3 244.250 2.447 40 30 BEEBHM [O-]N=C1CCCc2c1nc(-c1ccccc1)n2O ZINC000254315867 527643798 /nfs/dbraw/zinc/64/37/98/527643798.db2.gz FOTAKYZZXWKROI-UHFFFAOYSA-N -1 3 243.266 2.302 40 30 BEEBHM Cc1cc(C=O)c([O-])c(C(C)(C)C#N)c1 ZINC000238462100 344135035 /nfs/dbraw/zinc/13/50/35/344135035.db2.gz MEMINUUXIRKFRG-UHFFFAOYSA-N -1 3 203.241 2.314 40 30 BEEBHM N/N=C1\c2ccccc2-c2c1cccc2[O-] ZINC000022243268 181185079 /nfs/dbraw/zinc/18/50/79/181185079.db2.gz DFQIKIMTGYSHJG-FYWRMAATSA-N -1 3 210.236 2.084 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1cccc(Cl)c1 ZINC000073292317 384247449 /nfs/dbraw/zinc/24/74/49/384247449.db2.gz IHDMFEMOJNFNTD-GGDONCSHSA-N -1 3 239.662 2.242 40 30 BEEBHM Cc1[n-]oc(=O)c1NNc1ccccc1Cl ZINC000104288015 384819247 /nfs/dbraw/zinc/81/92/47/384819247.db2.gz CLSANRCUPZHXGH-YRKODCDWSA-N -1 3 239.662 2.242 40 30 BEEBHM CCOP(=O)(OCC)/C(CC)=N/[O-] ZINC000104096485 384800546 /nfs/dbraw/zinc/80/05/46/384800546.db2.gz KVMJAAQWDSXDJW-BQYQJAHWSA-N -1 3 209.182 2.450 40 30 BEEBHM COc1ccc(/C=N/N=C/c2ccco2)c([O-])c1 ZINC000001709405 175048867 /nfs/dbraw/zinc/04/88/67/175048867.db2.gz WCDQEGRDRRKDHX-VOMDNODZSA-N -1 3 244.250 2.447 40 30 BEEBHM N/N=C1\c2ccccc2-c2cccc([O-])c21 ZINC000016921784 181184895 /nfs/dbraw/zinc/18/48/95/181184895.db2.gz QKBYBVVQVAIOPI-FYWRMAATSA-N -1 3 210.236 2.084 40 30 BEEBHM C=CCc1cc(/C=C\[N+](=O)[O-])cc(OC)c1[O-] ZINC000008108949 368315630 /nfs/dbraw/zinc/31/56/30/368315630.db2.gz YPDNTTSYDORGGU-WAYWQWQTSA-N -1 3 235.239 2.377 40 30 BEEBHM [O-]c1ccc2ccccc2c1/C=N/n1cncn1 ZINC000006244013 183284902 /nfs/dbraw/zinc/28/49/02/183284902.db2.gz VMGXUDGLVWNQOK-VIZOYTHASA-N -1 3 238.250 2.019 40 30 BEEBHM COc1ccc2cc([C@H](C)C(=O)N[O-])ccc2c1 ZINC000028106909 175224725 /nfs/dbraw/zinc/22/47/25/175224725.db2.gz RZCRNJWKSQLYQS-VIFPVBQESA-N -1 3 245.278 2.457 40 30 BEEBHM COc1ccc2cc([C@@H](C)C(=O)N[O-])ccc2c1 ZINC000028106903 175225178 /nfs/dbraw/zinc/22/51/78/175225178.db2.gz RZCRNJWKSQLYQS-SECBINFHSA-N -1 3 245.278 2.457 40 30 BEEBHM