smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c32)N1 ZINC000000028681 563211075 /nfs/dbraw/zinc/21/10/75/563211075.db2.gz CZHAUERRAMVUGM-UHFFFAOYSA-N 0 0 312.372 5.235 50 10 aggregator DKCARN Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000029115 563503303 /nfs/dbraw/zinc/50/33/03/563503303.db2.gz VFLNARZAHJYLBO-DAYGRLMNSA-N 0 0 316.231 5.820 50 10 DKCARN Cc1ccc(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000048577 563211917 /nfs/dbraw/zinc/21/19/17/563211917.db2.gz HUQJANNJQJBHAP-UHFFFAOYSA-N 0 0 324.405 5.154 50 10 DKCARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C ZINC000000055088 563515237 /nfs/dbraw/zinc/51/52/37/563515237.db2.gz RQHKPFJXEPEIAI-UHFFFAOYSA-N 0 0 323.508 5.290 50 10 DKCARN Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1 ZINC000000092695 563215885 /nfs/dbraw/zinc/21/58/85/563215885.db2.gz SCGUDKCEFAZIKN-UHFFFAOYSA-N 0 0 302.805 5.157 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000000094597 180690702 /nfs/dbraw/zinc/69/07/02/180690702.db2.gz CWADRHVZNRIOQI-FUHIMQAGSA-N 0 0 323.823 5.369 50 10 DKCARN Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000000111285 563218902 /nfs/dbraw/zinc/21/89/02/563218902.db2.gz NVVAZFXYMGPKBC-UHFFFAOYSA-N 0 0 321.220 5.099 50 10 DKCARN Clc1cccc(C2Nc3cccc4cccc(c43)N2)c1Cl ZINC000000135767 563222165 /nfs/dbraw/zinc/22/21/65/563222165.db2.gz MUWCBGONBZIWLP-UHFFFAOYSA-N 0 0 315.203 5.683 50 10 DKCARN Clc1cccc(Cl)c1C1Nc2cccc3cccc(c32)N1 ZINC000000135777 180704781 /nfs/dbraw/zinc/70/47/81/180704781.db2.gz QNEHMYDUZSTNDI-UHFFFAOYSA-N 0 0 315.203 5.683 50 10 DKCARN Clc1ccc(C2Nc3cccc4cccc(c43)N2)cc1Cl ZINC000000135780 563222019 /nfs/dbraw/zinc/22/20/19/563222019.db2.gz PNPZNBSCKVIFFJ-UHFFFAOYSA-N 0 0 315.203 5.683 50 10 DKCARN FC(F)(F)c1ccccc1C1Nc2cccc3cccc(c32)N1 ZINC000000135783 563222063 /nfs/dbraw/zinc/22/20/63/563222063.db2.gz UXNHVUYURCRIFB-UHFFFAOYSA-N 0 0 314.310 5.395 50 10 DKCARN Clc1ccc(C2Nc3cccc4cccc(c43)N2)c(Cl)c1 ZINC000000135791 518194718 /nfs/dbraw/zinc/19/47/18/518194718.db2.gz KHRZAHRDWDBISW-UHFFFAOYSA-N 0 0 315.203 5.683 50 10 DKCARN Cc1ccc(C)n1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000000165651 563574012 /nfs/dbraw/zinc/57/40/12/563574012.db2.gz XXEPZQWDHYRSFU-UHFFFAOYSA-N 0 0 308.130 5.420 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000000177919 563228197 /nfs/dbraw/zinc/22/81/97/563228197.db2.gz FIZHZANIWBCRQK-SIFCLUCFSA-N 0 0 323.823 5.369 50 10 DKCARN COc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000000179777 563228471 /nfs/dbraw/zinc/22/84/71/563228471.db2.gz VXUKQQSYGMETLM-RVKKMQEKSA-N 0 0 311.812 5.175 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000000179778 563228439 /nfs/dbraw/zinc/22/84/39/563228439.db2.gz QRRCLHGSZFNJEH-FUHIMQAGSA-N 0 0 323.823 5.369 50 10 DKCARN Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)o1 ZINC000000201161 563578082 /nfs/dbraw/zinc/57/80/82/563578082.db2.gz ZQQCRBQTOMGRKZ-UHFFFAOYSA-N 0 0 317.392 5.263 50 10 DKCARN Cc1ccc(-c2nc3ccccn3c2Nc2c(C)cccc2C)o1 ZINC000000201181 563577813 /nfs/dbraw/zinc/57/78/13/563577813.db2.gz NYMHYIHRICNVON-UHFFFAOYSA-N 0 0 317.392 5.263 50 10 DKCARN FC(F)(F)c1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000232254 563232199 /nfs/dbraw/zinc/23/21/99/563232199.db2.gz NNESIWUNPNCERG-UHFFFAOYSA-N 0 0 314.310 5.395 50 10 DKCARN Cc1cc(C)c2c(c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000000264153 563234754 /nfs/dbraw/zinc/23/47/54/563234754.db2.gz WVPZWEZBZSDHNJ-SQGPQFPESA-N 0 0 320.392 5.038 50 10 DKCARN Cc1ccc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000000400091 563251154 /nfs/dbraw/zinc/25/11/54/563251154.db2.gz XQFBFCCGGAXUII-UHFFFAOYSA-N 0 0 312.210 5.215 50 10 DKCARN Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(F)cc2)o1 ZINC000000426775 180786604 /nfs/dbraw/zinc/78/66/04/180786604.db2.gz FRTHTQXCQHMNPN-UHFFFAOYSA-N 0 0 321.355 5.094 50 10 DKCARN Cc1ccc2cc(C3=C/C(=C/c4cccs4)C(=O)O3)ccc2c1 ZINC000000434165 180789860 /nfs/dbraw/zinc/78/98/60/180789860.db2.gz AAQXQPIMIZSOSC-BOPFTXTBSA-N 0 0 318.397 5.191 50 10 DKCARN Fc1ccc(-c2[nH]c([C@@H]3CC=CCC3)nc2-c2ccccc2)cc1 ZINC000000469218 563260188 /nfs/dbraw/zinc/26/01/88/563260188.db2.gz DNSIDEPSUKFXCH-QGZVFWFLSA-N 0 0 318.395 5.707 50 10 DKCARN Fc1ccc(-c2[nH]c([C@H]3CC=CCC3)nc2-c2ccccc2)cc1 ZINC000000469219 563259914 /nfs/dbraw/zinc/25/99/14/563259914.db2.gz DNSIDEPSUKFXCH-KRWDZBQOSA-N 0 0 318.395 5.707 50 10 DKCARN Nc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000000613257 563269474 /nfs/dbraw/zinc/26/94/74/563269474.db2.gz TVPOAMZXNROFNI-UHFFFAOYSA-N 0 0 317.417 5.289 50 10 DKCARN Clc1cc(Cl)c2c(c1)N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000000616964 563701639 /nfs/dbraw/zinc/70/16/39/563701639.db2.gz JPZNMCAOCWWHDQ-OGHNNQOOSA-N 0 0 317.219 5.215 50 10 DKCARN Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 ZINC000000802431 563717680 /nfs/dbraw/zinc/71/76/80/563717680.db2.gz ZPSCRYWKCOJMAB-OGHNNQOOSA-N 0 0 317.219 5.215 50 10 DKCARN Cc1ccc(C)n1-c1cccc2c1cccc2-n1c(C)ccc1C ZINC000000977548 563273627 /nfs/dbraw/zinc/27/36/27/563273627.db2.gz OTQAHZUKBIGBMU-UHFFFAOYSA-N 0 0 314.432 5.655 50 10 DKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)C(=O)C1 ZINC000000983295 563274000 /nfs/dbraw/zinc/27/40/00/563274000.db2.gz KQSSMCPKNVMYEO-UHFFFAOYSA-N 0 0 315.416 5.299 50 10 biogenic DKCARN Cc1cc(Sc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 ZINC000000992609 563786712 /nfs/dbraw/zinc/78/67/12/563786712.db2.gz OELMFOQJPSNDPF-UHFFFAOYSA-N 0 0 324.405 5.154 50 10 DKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000001022083 563787292 /nfs/dbraw/zinc/78/72/92/563787292.db2.gz IRSRESSVVBLOBE-FHSNZYRGSA-N 0 0 316.231 5.820 50 10 DKCARN Cc1ccc(C2=C/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1 ZINC000001029020 563787678 /nfs/dbraw/zinc/78/76/78/563787678.db2.gz KERQWSTXMMQOFT-UNOMPAQXSA-N 0 0 304.389 5.100 50 10 DKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000001029330 563787266 /nfs/dbraw/zinc/78/72/66/563787266.db2.gz XQHNYSILRSSGJL-JKIFEVAISA-N 0 0 316.231 5.820 50 10 DKCARN Clc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000001053922 563787306 /nfs/dbraw/zinc/78/73/06/563787306.db2.gz MZSQUMXQODANFL-WQGACYEGSA-N 0 0 317.219 5.215 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000001204761 517370012 /nfs/dbraw/zinc/37/00/12/517370012.db2.gz QRRCLHGSZFNJEH-UWVAXJGDSA-N 0 0 323.823 5.369 50 10 DKCARN Cc1cc(C)c2c(c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001212497 563279198 /nfs/dbraw/zinc/27/91/98/563279198.db2.gz WVPZWEZBZSDHNJ-FUHIMQAGSA-N 0 0 320.392 5.038 50 10 DKCARN O=C1CCCc2c1cc(-c1ccccc1Cl)n2-c1ccccc1 ZINC000001393245 563817499 /nfs/dbraw/zinc/81/74/99/563817499.db2.gz ROXAGZZIKWBLIZ-UHFFFAOYSA-N 0 0 321.807 5.317 50 10 DKCARN c1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccccc2)cc1 ZINC000001446453 563835156 /nfs/dbraw/zinc/83/51/56/563835156.db2.gz LDMYJRJLSGLBHW-UHFFFAOYSA-N 0 0 302.421 5.791 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000001461836 563620903 /nfs/dbraw/zinc/62/09/03/563620903.db2.gz CWADRHVZNRIOQI-MBOZVWFJSA-N 0 0 323.823 5.369 50 10 DKCARN Cc1ccc(C)c2c(/C=C/c3ccc(N(C)C)cc3)ccnc12 ZINC000001559785 180873344 /nfs/dbraw/zinc/87/33/44/180873344.db2.gz DQGAOGIFRCIALP-JXMROGBWSA-N 0 0 302.421 5.088 50 10 DKCARN CCN(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000001673086 563290753 /nfs/dbraw/zinc/29/07/53/563290753.db2.gz RHVPFAMWEKAIHJ-FMIVXFBMSA-N 0 0 302.421 5.251 50 10 DKCARN c1ccc(-c2ccc(C3Nc4cccc5cccc(c54)N3)cc2)cc1 ZINC000001730418 563293727 /nfs/dbraw/zinc/29/37/27/563293727.db2.gz QKEKAVLXAZODAJ-UHFFFAOYSA-N 0 0 322.411 6.043 50 10 DKCARN CC(C)(C)c1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000001740244 563294781 /nfs/dbraw/zinc/29/47/81/563294781.db2.gz LTCCYFKOIWHOAB-UHFFFAOYSA-N 0 0 302.421 5.674 50 10 DKCARN c1ccc(-n2c3ccccc3c3c2-c2ccccc2CCC3)cc1 ZINC000002077813 563299460 /nfs/dbraw/zinc/29/94/60/563299460.db2.gz RKEQKUJQOGQOKW-UHFFFAOYSA-N 0 0 309.412 5.786 50 10 DKCARN CCCOc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000002083061 180909147 /nfs/dbraw/zinc/90/91/47/180909147.db2.gz MMRRPWNQAXAJLW-UHFFFAOYSA-N 0 0 304.393 5.165 50 10 DKCARN Cc1ccc(C)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002150010 563300792 /nfs/dbraw/zinc/30/07/92/563300792.db2.gz KUDHKDYSHKOCTC-UHFFFAOYSA-N 0 0 307.237 5.132 50 10 DKCARN Cc1ccc(-c2ccc(/C=C3/C=C(CC(C)C)OC3=O)o2)cc1 ZINC000002157943 563300745 /nfs/dbraw/zinc/30/07/45/563300745.db2.gz GPCNZIINKZZLKJ-WJDWOHSUSA-N 0 0 308.377 5.125 50 10 biogenic DKCARN CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)CCCCC2)cc1 ZINC000002170580 563915669 /nfs/dbraw/zinc/91/56/69/563915669.db2.gz JMCJDEVXPBNXJW-UHFFFAOYSA-N 0 0 322.496 5.069 50 10 DKCARN CN(C)c1ccc([C@H]2C=Cc3c(ccc4ccccc43)N2)cc1 ZINC000002173275 180914241 /nfs/dbraw/zinc/91/42/41/180914241.db2.gz NYTQUUXZEAOWCT-HXUWFJFHSA-N 0 0 300.405 5.086 50 10 DKCARN CN(C)c1ccc([C@@H]2C=Cc3c(ccc4ccccc43)N2)cc1 ZINC000002173277 563301076 /nfs/dbraw/zinc/30/10/76/563301076.db2.gz NYTQUUXZEAOWCT-FQEVSTJZSA-N 0 0 300.405 5.086 50 10 DKCARN Clc1ccc2c(c1)C(N1CCCC1)=Cc1ccccc1S2 ZINC000002193124 563301441 /nfs/dbraw/zinc/30/14/41/563301441.db2.gz QEOXREUACMOBLF-UHFFFAOYSA-N 0 0 313.853 5.399 50 10 DKCARN CC(C)(C)c1cc(Cc2ccc(O)cc2)cc(C(C)(C)C)c1O ZINC000002275303 563921090 /nfs/dbraw/zinc/92/10/90/563921090.db2.gz NUIRGQLBGQXCGH-UHFFFAOYSA-N 0 0 312.453 5.284 50 10 DKCARN Cc1ccc2c(c1)c1ccccc1n2Cc1ccc(N(C)C)cc1 ZINC000002280752 563924882 /nfs/dbraw/zinc/92/48/82/563924882.db2.gz YAQLLZZAFDNDGS-UHFFFAOYSA-N 0 0 314.432 5.217 50 10 DKCARN CCN1c2ccc(CNc3ccc(F)cc3)cc2C(C)=CC1(C)C ZINC000002283260 563302288 /nfs/dbraw/zinc/30/22/88/563302288.db2.gz FFQSBSIJNSEXCB-UHFFFAOYSA-N 0 0 324.443 5.460 50 10 DKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)[C@@H](O)C1 ZINC000002294442 563925557 /nfs/dbraw/zinc/92/55/57/563925557.db2.gz CJMXNPTWAKQWJM-NRFANRHFSA-N 0 0 317.432 5.150 50 10 DKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)[C@H](O)C1 ZINC000002294443 563925530 /nfs/dbraw/zinc/92/55/30/563925530.db2.gz CJMXNPTWAKQWJM-OAQYLSRUSA-N 0 0 317.432 5.150 50 10 DKCARN CCCCn1cnc2cc(NCc3ccc(Cl)cc3)ccc21 ZINC000002464948 563914679 /nfs/dbraw/zinc/91/46/79/563914679.db2.gz QAJFOBRZFDHAIY-UHFFFAOYSA-N 0 0 313.832 5.102 50 10 DKCARN CC(C)n1cnc2cc(NCc3cccc4ccccc43)ccc21 ZINC000002464955 563914721 /nfs/dbraw/zinc/91/47/21/563914721.db2.gz NTNGDBCLSLSOGC-UHFFFAOYSA-N 0 0 315.420 5.383 50 10 DKCARN CCN(CC)c1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000002474864 563621444 /nfs/dbraw/zinc/62/14/44/563621444.db2.gz LIZNKYZBJLWGDJ-UHFFFAOYSA-N 0 0 317.436 5.222 50 10 DKCARN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccncc3)[C@@H]2C1 ZINC000002478177 563938116 /nfs/dbraw/zinc/93/81/16/563938116.db2.gz PQRRGKFDUQSERQ-MZKRTTBSSA-N 0 0 324.427 5.575 50 10 DKCARN Cc1cc(O)c(Cn2c3ccccc3c3ccccc32)cc1C ZINC000002493968 180927292 /nfs/dbraw/zinc/92/72/92/180927292.db2.gz NVTCQUKQQIACKY-UHFFFAOYSA-N 0 0 301.389 5.165 50 10 DKCARN Cc1cc2c(n1-c1ccc(Cl)c(Cl)c1)CC(C)(C)CC2=O ZINC000002512811 180929238 /nfs/dbraw/zinc/92/92/38/180929238.db2.gz IWKWYDLQHNFZFK-UHFFFAOYSA-N 0 0 322.235 5.248 50 10 DKCARN Cc1cc2c(n1-c1cc(Cl)cc(Cl)c1)CC(C)(C)CC2=O ZINC000002512817 180929081 /nfs/dbraw/zinc/92/90/81/180929081.db2.gz OBHKYJCIZUGEFJ-UHFFFAOYSA-N 0 0 322.235 5.248 50 10 DKCARN Nc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1 ZINC000002519593 563307737 /nfs/dbraw/zinc/30/77/37/563307737.db2.gz DPRHTFGUHXGQJP-UHFFFAOYSA-N 0 0 322.458 5.517 50 10 DKCARN COc1ccc(CNc2ccc(C3CCCCC3)cc2)c(O)c1 ZINC000002544799 563915819 /nfs/dbraw/zinc/91/58/19/563915819.db2.gz RUQFEMJLVZYEGZ-UHFFFAOYSA-N 0 0 311.425 5.061 50 10 DKCARN CN(C)c1ccc(/C=C/C2=Nc3ccccc3OC(C)(C)C2)cc1 ZINC000002890560 563316782 /nfs/dbraw/zinc/31/67/82/563316782.db2.gz PBAWMHWNBPWVGV-FMIVXFBMSA-N 0 0 320.436 5.100 50 10 DKCARN Oc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1 ZINC000002940048 563318323 /nfs/dbraw/zinc/31/83/23/563318323.db2.gz FKDPHIMUUUUBNE-JQVVWYNYSA-N 0 0 313.400 5.372 50 10 DKCARN Cc1ccc(C2=NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 ZINC000003035453 180978232 /nfs/dbraw/zinc/97/82/32/180978232.db2.gz VTFHBXGEOPIHPJ-PDGQHHTCSA-N 0 0 321.445 5.180 50 10 DKCARN Fc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1 ZINC000003068453 180979894 /nfs/dbraw/zinc/97/98/94/180979894.db2.gz TWBBQIAAFARZGU-JQVVWYNYSA-N 0 0 315.391 5.805 50 10 DKCARN O=C1CCCc2c1cc(-c1ccc(Cl)cc1)n2-c1ccccc1 ZINC000003104712 563322012 /nfs/dbraw/zinc/32/20/12/563322012.db2.gz LZABQGAVOJNWQA-UHFFFAOYSA-N 0 0 321.807 5.317 50 10 DKCARN O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccccc1Cl ZINC000003133696 563322306 /nfs/dbraw/zinc/32/23/06/563322306.db2.gz MTRBKZGFBPLNDX-UHFFFAOYSA-N 0 0 321.807 5.317 50 10 DKCARN O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccc(Cl)cc1 ZINC000003133697 563322672 /nfs/dbraw/zinc/32/26/72/563322672.db2.gz IEULXVGRKYJQBE-UHFFFAOYSA-N 0 0 321.807 5.317 50 10 DKCARN O=C1CCCc2c1cc(-c1ccccc1)n2-c1cccc(Cl)c1 ZINC000003133698 180984404 /nfs/dbraw/zinc/98/44/04/180984404.db2.gz HIBLLIRACVDFGT-UHFFFAOYSA-N 0 0 321.807 5.317 50 10 DKCARN c1cc2c(s1)CCc1c3ccccc3n(-c3ccccc3)c1-2 ZINC000003264109 180997747 /nfs/dbraw/zinc/99/77/47/180997747.db2.gz JYHCPVRFNNLUGV-UHFFFAOYSA-N 0 0 301.414 5.458 50 10 DKCARN CC(C)c1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1 ZINC000003664707 181044200 /nfs/dbraw/zinc/04/42/00/181044200.db2.gz UMDQVVUORLXSFF-BOPFTXTBSA-N 0 0 324.807 5.445 50 10 DKCARN O=[N+]([O-])c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000003861501 181049757 /nfs/dbraw/zinc/04/97/57/181049757.db2.gz YFVXLROHJBSEDW-QZQOTICOSA-N 0 0 318.336 5.754 50 10 DKCARN COc1ccc(/N=N/c2nc3ccccc3n2C)c2ccccc12 ZINC000003876400 181051405 /nfs/dbraw/zinc/05/14/05/181051405.db2.gz OIYNEEUOZLLFSV-QURGRASLSA-N 0 0 316.364 5.151 50 10 DKCARN CCn1c2ccccc2nc1/N=N/c1c(C)c(C)cc(C)c1C ZINC000003876459 181051617 /nfs/dbraw/zinc/05/16/17/181051617.db2.gz MUNOFVDYOVFHBQ-QURGRASLSA-N 0 0 306.413 5.705 50 10 DKCARN COc1ccc2ccccc2c1/N=N/c1nc2ccccc2n1C ZINC000003876467 181051554 /nfs/dbraw/zinc/05/15/54/181051554.db2.gz SAFBMOSFAZZGOG-QURGRASLSA-N 0 0 316.364 5.151 50 10 DKCARN O=C1c2ccccc2C=CC1=NN=c1ccc2cccc(O)c2[nH]1 ZINC000003878353 181051457 /nfs/dbraw/zinc/05/14/57/181051457.db2.gz MJHPUUCTKLEUEN-QURGRASLSA-N 0 0 315.332 5.215 50 10 DKCARN CCCC(=O)Oc1ccc(N=Nc2ccc(C(C)=O)cc2)cc1 ZINC000003894541 181053671 /nfs/dbraw/zinc/05/36/71/181053671.db2.gz CYSZCIDMDJKWBA-FMQUCBEESA-N 0 0 310.353 5.010 50 10 biogenic DKCARN COc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000003900995 181055160 /nfs/dbraw/zinc/05/51/60/181055160.db2.gz GNRGOLFXGWHGSA-UHFFFAOYSA-N 0 0 310.356 5.098 50 10 DKCARN CC(C)c1ccc(Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000003906250 181056160 /nfs/dbraw/zinc/05/61/60/181056160.db2.gz ALYCZDVRLDFRHR-UHFFFAOYSA-N 0 0 317.392 5.461 50 10 DKCARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)o1 ZINC000003906254 181056097 /nfs/dbraw/zinc/05/60/97/181056097.db2.gz YPYNRVXPWYZMHI-UHFFFAOYSA-N 0 0 323.783 5.300 50 10 DKCARN Cc1ccccc1Nc1c(-c2ccco2)nc2ccc(Cl)cn21 ZINC000003906261 181056076 /nfs/dbraw/zinc/05/60/76/181056076.db2.gz YTECVEZXNNUVFP-UHFFFAOYSA-N 0 0 323.783 5.300 50 10 DKCARN Cc1ccc(Nc2c(-c3ccco3)nc3ccc(Cl)cn32)cc1 ZINC000003906263 181055845 /nfs/dbraw/zinc/05/58/45/181055845.db2.gz OQEIKALTAZADMD-UHFFFAOYSA-N 0 0 323.783 5.300 50 10 DKCARN CCCCn1cnc2cc(NCc3ccc(C(C)C)cc3)ccc21 ZINC000003907424 181055706 /nfs/dbraw/zinc/05/57/06/181055706.db2.gz XQCPGPWKNUOVFW-UHFFFAOYSA-N 0 0 321.468 5.572 50 10 DKCARN CC(C)c1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1 ZINC000003907425 181055675 /nfs/dbraw/zinc/05/56/75/181055675.db2.gz NHGLOPAPKWAPAK-UHFFFAOYSA-N 0 0 321.468 5.527 50 10 DKCARN CCCCn1cnc2cc(NCc3ccccc3Cl)ccc21 ZINC000003907429 181056056 /nfs/dbraw/zinc/05/60/56/181056056.db2.gz GLJSSPYTOFRPIJ-UHFFFAOYSA-N 0 0 313.832 5.102 50 10 DKCARN CC(C)(C)n1cnc2cc(NCc3ccccc3Cl)ccc21 ZINC000003907430 181055941 /nfs/dbraw/zinc/05/59/41/181055941.db2.gz YHYKLBKNEWNXNZ-UHFFFAOYSA-N 0 0 313.832 5.057 50 10 DKCARN Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)o1 ZINC000003909758 181057416 /nfs/dbraw/zinc/05/74/16/181057416.db2.gz MSADVJKQCRMYCP-UHFFFAOYSA-N 0 0 317.392 5.263 50 10 DKCARN Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(F)cc2)o1 ZINC000003909769 181057070 /nfs/dbraw/zinc/05/70/70/181057070.db2.gz ONLUNWCPYPLTSD-UHFFFAOYSA-N 0 0 321.355 5.094 50 10 DKCARN Cc1noc(/C=C/c2ccccc2)c1/N=N/c1ccc(C)cc1 ZINC000004015220 181062793 /nfs/dbraw/zinc/06/27/93/181062793.db2.gz LBSKHJAKNJLIFC-YIWZNODSSA-N 0 0 303.365 5.877 50 10 DKCARN O=C(Nc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004016621 181062969 /nfs/dbraw/zinc/06/29/69/181062969.db2.gz SIMXZFHSFMLYDZ-GHVJWSGMSA-N 0 0 316.364 5.746 50 10 DKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004031937 181065202 /nfs/dbraw/zinc/06/52/02/181065202.db2.gz CQPMCXOPRPHIJF-GHVJWSGMSA-N 0 0 319.339 5.493 50 10 DKCARN Cc1ccc(-c2ccccc2)n1-c1ccc(Nc2ccccc2)cc1 ZINC000004048212 181067019 /nfs/dbraw/zinc/06/70/19/181067019.db2.gz YVQZJVAKBGVSQT-UHFFFAOYSA-N 0 0 324.427 6.196 50 10 DKCARN Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]21 ZINC000004117443 181075296 /nfs/dbraw/zinc/07/52/96/181075296.db2.gz AYIPFKKBJMBCJJ-HYFFOGBASA-N 0 0 315.391 5.805 50 10 DKCARN Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@@H]21 ZINC000004117444 181075437 /nfs/dbraw/zinc/07/54/37/181075437.db2.gz AYIPFKKBJMBCJJ-PNLZDCPESA-N 0 0 315.391 5.805 50 10 DKCARN Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]21 ZINC000004117446 181075298 /nfs/dbraw/zinc/07/52/98/181075298.db2.gz AYIPFKKBJMBCJJ-DRSNIGMVSA-N 0 0 315.391 5.805 50 10 DKCARN Fc1ccccc1[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@H]21 ZINC000004117447 181075352 /nfs/dbraw/zinc/07/53/52/181075352.db2.gz AYIPFKKBJMBCJJ-GSHUGGBRSA-N 0 0 315.391 5.805 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004140601 181078666 /nfs/dbraw/zinc/07/86/66/181078666.db2.gz CWADRHVZNRIOQI-UWVAXJGDSA-N 0 0 323.823 5.369 50 10 biogenic DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004140603 181078734 /nfs/dbraw/zinc/07/87/34/181078734.db2.gz CWADRHVZNRIOQI-HLIPFELVSA-N 0 0 323.823 5.369 50 10 DKCARN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3cccnc3)[C@H]2C1 ZINC000004168282 181081190 /nfs/dbraw/zinc/08/11/90/181081190.db2.gz XDRGSACBQCKLIK-JTAQYXEDSA-N 0 0 324.427 5.575 50 10 DKCARN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccncc3)[C@H]2C1 ZINC000004168302 181081153 /nfs/dbraw/zinc/08/11/53/181081153.db2.gz PQRRGKFDUQSERQ-JTAQYXEDSA-N 0 0 324.427 5.575 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2 ZINC000004172137 181082049 /nfs/dbraw/zinc/08/20/49/181082049.db2.gz YISGJIDDHJWKMA-LQWHRVPQSA-N 0 0 303.405 5.024 50 10 DKCARN CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-][N+]#N)c(C(C)C)c1 ZINC000004290248 181093099 /nfs/dbraw/zinc/09/30/99/181093099.db2.gz AEMWUHCKKDPRSK-UHFFFAOYSA-N 0 0 309.435 5.056 50 10 DKCARN Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccc(F)cc1F ZINC000004299969 181094674 /nfs/dbraw/zinc/09/46/74/181094674.db2.gz WBDOVCZSVUGVMY-QZQOTICOSA-N 0 0 312.323 5.183 50 10 DKCARN CC(=O)Nc1ccc(/N=N/c2cccc(C(F)(F)F)c2)cc1C ZINC000004300429 181094185 /nfs/dbraw/zinc/09/41/85/181094185.db2.gz FQJPPMRCRNPBFU-QURGRASLSA-N 0 0 321.302 5.388 50 10 DKCARN CCNc1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000004300917 181094656 /nfs/dbraw/zinc/09/46/56/181094656.db2.gz KFAYSKCCZFBWQZ-ISLYRVAYSA-N 0 0 304.191 5.296 50 10 DKCARN c1ccc2c(c1)-c1cccc3c1c-2cc1nc2ccccc2nc13 ZINC000004309470 181095854 /nfs/dbraw/zinc/09/58/54/181095854.db2.gz IUNXRMBHRCVHJW-UHFFFAOYSA-N 0 0 304.352 5.584 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004321346 181097414 /nfs/dbraw/zinc/09/74/14/181097414.db2.gz FIZHZANIWBCRQK-QEEYODRMSA-N 0 0 323.823 5.369 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004321347 181096953 /nfs/dbraw/zinc/09/69/53/181096953.db2.gz FIZHZANIWBCRQK-AUSJPIAWSA-N 0 0 323.823 5.369 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000004321348 181097502 /nfs/dbraw/zinc/09/75/02/181097502.db2.gz FIZHZANIWBCRQK-STXHMFSFSA-N 0 0 323.823 5.369 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000004321349 181097071 /nfs/dbraw/zinc/09/70/71/181097071.db2.gz FIZHZANIWBCRQK-BXTJHSDWSA-N 0 0 323.823 5.369 50 10 DKCARN Cc1cc2ncc(/N=N/c3ccccc3)c(-c3cccs3)n2n1 ZINC000004334129 181099183 /nfs/dbraw/zinc/09/91/83/181099183.db2.gz MDOIQHLFKUPLTR-FMQUCBEESA-N 0 0 319.393 5.182 50 10 DKCARN CCCCc1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1 ZINC000004343063 181100617 /nfs/dbraw/zinc/10/06/17/181100617.db2.gz LHQOLHKCYHBVAC-QURGRASLSA-N 0 0 304.393 6.303 50 10 DKCARN CCCN1CCCc2cc(N=Nc3ccc(C(C)=O)cc3)ccc21 ZINC000004344348 563327425 /nfs/dbraw/zinc/32/74/25/563327425.db2.gz DZGGYXUFFZYMCA-QURGRASLSA-N 0 0 321.424 5.467 50 10 DKCARN COc1ccc(/N=N/c2ccc3c(c2)CCCN3CC(C)C)cc1 ZINC000004344357 563327384 /nfs/dbraw/zinc/32/73/84/563327384.db2.gz GFMZKPGNJVCVBQ-QURGRASLSA-N 0 0 323.440 5.519 50 10 DKCARN O=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)[nH]c2ccccc23)cc1 ZINC000004375834 181103922 /nfs/dbraw/zinc/10/39/22/181103922.db2.gz DCJICKKSWCCMEL-QZQOTICOSA-N 0 0 316.320 5.645 50 10 DKCARN O=C1c2ccccc2[C@@H]2[C@H]3CC=C[C@H]3c3c4ccccc4ccc3N12 ZINC000004387614 181106287 /nfs/dbraw/zinc/10/62/87/181106287.db2.gz OQDRJPLQLNJEPD-JLHGSKIFSA-N 0 0 323.395 5.215 50 10 DKCARN O=C1c2ccccc2[C@@H]2[C@H]3CC=C[C@@H]3c3c4ccccc4ccc3N12 ZINC000004387615 181106049 /nfs/dbraw/zinc/10/60/49/181106049.db2.gz OQDRJPLQLNJEPD-HOIFWPIMSA-N 0 0 323.395 5.215 50 10 DKCARN O=C1c2ccccc2[C@@H]2[C@@H]3CC=C[C@H]3c3c4ccccc4ccc3N12 ZINC000004387616 181105725 /nfs/dbraw/zinc/10/57/25/181105725.db2.gz OQDRJPLQLNJEPD-YVHKJVDXSA-N 0 0 323.395 5.215 50 10 DKCARN O=C1c2ccccc2[C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4ccc3N12 ZINC000004387617 181105962 /nfs/dbraw/zinc/10/59/62/181105962.db2.gz OQDRJPLQLNJEPD-JKSBSHDWSA-N 0 0 323.395 5.215 50 10 DKCARN Cc1cc(/N=N/c2ccccc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000004390343 181106507 /nfs/dbraw/zinc/10/65/07/181106507.db2.gz HHUGNIJTHJRSSB-GHVJWSGMSA-N 0 0 302.421 6.947 50 10 DKCARN COc1cccc(Cl)c1N=Nc1c(O)ccc2ccccc21 ZINC000004419448 181108067 /nfs/dbraw/zinc/10/80/67/181108067.db2.gz CFUWMBRPJNHUND-FMQUCBEESA-N 0 0 312.756 5.623 50 10 DKCARN Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 ZINC000004450134 181110085 /nfs/dbraw/zinc/11/00/85/181110085.db2.gz ZPSCRYWKCOJMAB-GDZNZVCISA-N 0 0 317.219 5.215 50 10 DKCARN Clc1cc(Cl)c2c(c1)N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000004450145 181110168 /nfs/dbraw/zinc/11/01/68/181110168.db2.gz JPZNMCAOCWWHDQ-GDZNZVCISA-N 0 0 317.219 5.215 50 10 DKCARN Cc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1C ZINC000004473129 181111272 /nfs/dbraw/zinc/11/12/72/181111272.db2.gz RYQVGAUFQMMZHI-UHFFFAOYSA-N 0 0 308.384 5.706 50 10 DKCARN Cc1c(NN=C2C=CC(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000004543521 181122416 /nfs/dbraw/zinc/12/24/16/181122416.db2.gz CIZWSXSAWBXYNC-VHEBQXMUSA-N 0 0 307.309 5.177 50 10 DKCARN CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(C(C)(C)C)cc1C2=O ZINC000004567032 181125431 /nfs/dbraw/zinc/12/54/31/181125431.db2.gz KJSNKHXDFLXHPS-UHFFFAOYSA-N 0 0 320.432 5.057 50 10 DKCARN Cc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1C ZINC000004578620 181126910 /nfs/dbraw/zinc/12/69/10/181126910.db2.gz HGGCZYNOLFILLN-UHFFFAOYSA-N 0 0 308.384 5.706 50 10 DKCARN O=C1C(Cl)=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1Cl ZINC000004582972 181127352 /nfs/dbraw/zinc/12/73/52/181127352.db2.gz RGJVSRRBVKQGLM-FOCLMDBBSA-N 0 0 312.112 5.023 50 10 DKCARN Clc1ccc2c(c1Cl)N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 ZINC000004593445 181127972 /nfs/dbraw/zinc/12/79/72/181127972.db2.gz RVLGEBUGZCHUPY-USBNGQNGSA-N 0 0 317.219 5.215 50 10 DKCARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1ccccc1 ZINC000004595237 181128927 /nfs/dbraw/zinc/12/89/27/181128927.db2.gz UCKPLOWUGAPCKP-UHFFFAOYSA-N 0 0 322.367 5.309 50 10 DKCARN Clc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000004622103 563327528 /nfs/dbraw/zinc/32/75/28/563327528.db2.gz BDMZARFPSCMUOE-RRUGBERISA-N 0 0 316.231 5.820 50 10 DKCARN Clc1cc(Cl)c2c(c1)N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000004624369 563478036 /nfs/dbraw/zinc/47/80/36/563478036.db2.gz 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/nfs/dbraw/zinc/93/58/48/563935848.db2.gz YKIKQGBHYBRPTR-QZQOTICOSA-N 0 0 318.336 5.754 50 10 DKCARN CCN(CC)c1ccc(/N=N/c2cccc3ccccc32)cc1 ZINC000096180964 563935837 /nfs/dbraw/zinc/93/58/37/563935837.db2.gz OKEQQFUZPKPYGU-QURGRASLSA-N 0 0 303.409 6.101 50 10 DKCARN CCN(CC)c1ccc(/N=N/c2ccc3ccccc3c2)cc1 ZINC000096180965 563935752 /nfs/dbraw/zinc/93/57/52/563935752.db2.gz XGOWBHULGQSJDL-QURGRASLSA-N 0 0 303.409 6.101 50 10 DKCARN COc1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000096191708 563935767 /nfs/dbraw/zinc/93/57/67/563935767.db2.gz HTSUGCRMTITIHG-QURGRASLSA-N 0 0 303.365 5.854 50 10 DKCARN O=C1C=CC(=NNc2ccc(-c3nc4ccccc4[nH]3)cc2)C=C1 ZINC000096191714 563936031 /nfs/dbraw/zinc/93/60/31/563936031.db2.gz SDRACVHZCLSTIC-GHVJWSGMSA-N 0 0 314.348 5.351 50 10 DKCARN CN(C)c1ccc(/C=C\c2nc3ccccc3s2)c(Cl)c1 ZINC000097475345 563350770 /nfs/dbraw/zinc/35/07/70/563350770.db2.gz ZMMKCFADIUYHHW-NTMALXAHSA-N 0 0 314.841 5.186 50 10 DKCARN Cc1ccc(N=Nc2c(O)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000100007537 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S=C1c2ccccc2SC1=CNc1cccc2ccccc21 ZINC000100719498 563599610 /nfs/dbraw/zinc/59/96/10/563599610.db2.gz KUEHTUXLOGJJGJ-PDGQHHTCSA-N 0 0 319.454 5.617 50 10 DKCARN S=C1OC(c2ccccc2)=CC1=CNc1ccccc1Cl ZINC000100783723 563601351 /nfs/dbraw/zinc/60/13/51/563601351.db2.gz PUFHDJYOIOOEDT-ACCUITESSA-N 0 0 313.809 5.035 50 10 DKCARN Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000101147875 563654065 /nfs/dbraw/zinc/65/40/65/563654065.db2.gz VFLNARZAHJYLBO-VKJFTORMSA-N 0 0 316.231 5.820 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2 ZINC000101956085 563558663 /nfs/dbraw/zinc/55/86/63/563558663.db2.gz YISGJIDDHJWKMA-LVCYWYKZSA-N 0 0 303.405 5.024 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 ZINC000111442011 563574556 /nfs/dbraw/zinc/57/45/56/563574556.db2.gz YISGJIDDHJWKMA-DBXWQHBBSA-N 0 0 303.405 5.024 50 10 DKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000169617678 563647299 /nfs/dbraw/zinc/64/72/99/563647299.db2.gz 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O=C1C=CC(c2ccccc2)=CC1=NNc1ccccc1Cl ZINC000252460934 563915230 /nfs/dbraw/zinc/91/52/30/563915230.db2.gz JHJGNDGNHUONCT-UHFFFAOYSA-N 0 0 308.768 6.128 50 10 DKCARN Cc1ccc(NN=C2C=C(C)C=C(Br)C2=O)c(C)c1 ZINC000252462177 563915268 /nfs/dbraw/zinc/91/52/68/563915268.db2.gz QLDZOQLWDKMLPP-UHFFFAOYSA-N 0 0 319.202 5.495 50 10 DKCARN Nc1nc(-c2ccc(Cl)cc2)c(N=Nc2ccccc2)s1 ZINC000252593029 563925876 /nfs/dbraw/zinc/92/58/76/563925876.db2.gz BICCETQETJTRJN-UHFFFAOYSA-N 0 0 314.801 5.461 50 10 DKCARN Cc1occc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000252594852 563917336 /nfs/dbraw/zinc/91/73/36/563917336.db2.gz BVPXDVPJAMPLCD-UHFFFAOYSA-N 0 0 305.337 5.256 50 10 DKCARN COc1cccc(Cl)c1N=Nc1c(O)ccc2ccccc21 ZINC000252596027 563917404 /nfs/dbraw/zinc/91/74/04/563917404.db2.gz CFUWMBRPJNHUND-UHFFFAOYSA-N 0 0 312.756 5.623 50 10 DKCARN Brc1cc(N=Nc2ccccc2)c2cccccc1-2 ZINC000252597927 563917390 /nfs/dbraw/zinc/91/73/90/563917390.db2.gz CWIPSQFTHRDBII-UHFFFAOYSA-N 0 0 311.182 5.969 50 10 DKCARN Cc1noc(/C=C\c2ccccc2)c1N=Nc1ccc(C)cc1 ZINC000252617933 563918050 /nfs/dbraw/zinc/91/80/50/563918050.db2.gz LBSKHJAKNJLIFC-BBPYQGFWSA-N 0 0 303.365 5.877 50 10 DKCARN Cc1noc(/C=C/c2ccccc2)c1N=Nc1ccc(C)cc1 ZINC000252617934 563918068 /nfs/dbraw/zinc/91/80/68/563918068.db2.gz LBSKHJAKNJLIFC-WDVSXTRZSA-N 0 0 303.365 5.877 50 10 DKCARN Cc1cc2ncc(N=Nc3ccccc3)c(-c3cccs3)n2n1 ZINC000252620412 563918528 /nfs/dbraw/zinc/91/85/28/563918528.db2.gz MDOIQHLFKUPLTR-UHFFFAOYSA-N 0 0 319.393 5.182 50 10 DKCARN Clc1ccc(-c2nnc(N=Nc3ccccc3)s2)cc1 ZINC000252624397 563919137 /nfs/dbraw/zinc/91/91/37/563919137.db2.gz PNGTWXWVHNKOKJ-UHFFFAOYSA-N 0 0 300.774 5.274 50 10 DKCARN CCCCCCc1cc(N=Nc2nccs2)c(O)cc1O ZINC000254628856 563926027 /nfs/dbraw/zinc/92/60/27/563926027.db2.gz JXWXHRNDQDRGGP-UHFFFAOYSA-N 0 0 305.403 5.093 50 10 DKCARN O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)cc2)C=C1 ZINC000254751075 563925988 /nfs/dbraw/zinc/92/59/88/563925988.db2.gz RTZYVAQWQXPIAC-UHFFFAOYSA-N 0 0 302.337 6.223 50 10 DKCARN CCN1C=C/C(=C/C=C2\C=Nc3ccc(C)cc32)c2ccccc21 ZINC000334157094 257262158 /nfs/dbraw/zinc/26/21/58/257262158.db2.gz MGOUEEJSKUMINX-BUOZRGFLSA-N 0 0 312.416 5.532 50 10 DKCARN CCN1C=C/C(=C/C=C2/C=Nc3ccc(C)cc32)c2ccccc21 ZINC000334157095 257262159 /nfs/dbraw/zinc/26/21/59/257262159.db2.gz MGOUEEJSKUMINX-XFQWXJFMSA-N 0 0 312.416 5.532 50 10 DKCARN