smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H](C)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000989609263 1106478120 /nfs/dbraw/zinc/47/81/20/1106478120.db2.gz UBZVRGLMFVHDOR-CYBMUJFWSA-N 0 1 340.851 2.531 50 0 EFAAMN Cc1nnsc1C(=O)N1CCc2n[nH]c(CC3CCCCC3)c2C1 ZINC000082039354 1109772350 /nfs/dbraw/zinc/77/23/50/1109772350.db2.gz VCZRKQSRIAJMKE-UHFFFAOYSA-N 0 1 345.472 2.891 50 0 EFAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccccc1 ZINC000006752794 201695377 /nfs/dbraw/zinc/69/53/77/201695377.db2.gz PKHZIGSOEHQWTD-LJQANCHMSA-N 0 1 349.390 2.974 50 0 EFAAMN CCCCN1C(=O)NC(=O)C(=C(C)NCCC2=CCCCC2)C1=O ZINC000101074514 219115429 /nfs/dbraw/zinc/11/54/29/219115429.db2.gz GYYDGVDKLOGPNV-FYWRMAATSA-N 0 1 333.432 2.619 50 0 EFAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(C)c3C)C2)cc1F ZINC000012454588 201848997 /nfs/dbraw/zinc/84/89/97/201848997.db2.gz NTZAJRQVAOOZIR-HNNXBMFYSA-N 0 1 345.418 2.971 50 0 EFAAMN Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2n[nH]c3c2CCCC3)cc1 ZINC000067473115 215150439 /nfs/dbraw/zinc/15/04/39/215150439.db2.gz CMLONKCXXIIVKJ-OAHLLOKOSA-N 0 1 340.471 2.906 50 0 EFAAMN Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2[nH]1 ZINC000040267994 213286125 /nfs/dbraw/zinc/28/61/25/213286125.db2.gz QEYPHKAFLXDJFL-CYBMUJFWSA-N 0 1 334.379 2.863 50 0 EFAAMN OCC[C@H]1CN(Cc2cccc(O)c2)CCN1Cc1cccs1 ZINC000019535594 202010919 /nfs/dbraw/zinc/01/09/19/202010919.db2.gz UQDXFNAOYIBGLL-INIZCTEOSA-N 0 1 332.469 2.523 50 0 EFAAMN CC(C)OCCCNC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000020100520 202031885 /nfs/dbraw/zinc/03/18/85/202031885.db2.gz HLAAQTFPDBABJX-UHFFFAOYSA-N 0 1 336.451 2.969 50 0 EFAAMN Cn1ccnc1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020204200 202035050 /nfs/dbraw/zinc/03/50/50/202035050.db2.gz ZCSIUIBNMPOBPS-CQSZACIVSA-N 0 1 327.363 2.803 50 0 EFAAMN CCCCCCNC(C)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000020292292 202036494 /nfs/dbraw/zinc/03/64/94/202036494.db2.gz FWEJAGCNMIXPKH-JQIJEIRASA-N 0 1 343.427 2.709 50 0 EFAAMN CCc1[nH]c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc1C ZINC000020095087 202031123 /nfs/dbraw/zinc/03/11/23/202031123.db2.gz JUXOUDYJZQRTEQ-UHFFFAOYSA-N 0 1 333.413 2.798 50 0 EFAAMN Cc1nc([C@H](C)NC(=O)CSC23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000020472488 202044376 /nfs/dbraw/zinc/04/43/76/202044376.db2.gz IMIXCPGGYCWSIM-JENXGELISA-N 0 1 334.489 2.992 50 0 EFAAMN Cc1ccccc1NC(=O)CC1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020745014 202053317 /nfs/dbraw/zinc/05/33/17/202053317.db2.gz IFAMNDGRODSSLP-OAHLLOKOSA-N 0 1 347.378 2.776 50 0 EFAAMN C[C@@H](CN1CCN(Cc2ccccc2)CC1)OC(=O)c1ccco1 ZINC000020807524 202055170 /nfs/dbraw/zinc/05/51/70/202055170.db2.gz HAWPSLKOAHRPCO-INIZCTEOSA-N 0 1 328.412 2.643 50 0 EFAAMN CCCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000020595144 202050365 /nfs/dbraw/zinc/05/03/65/202050365.db2.gz HNGHREAGZGYYLZ-UHFFFAOYSA-N 0 1 330.259 2.960 50 0 EFAAMN Cc1cc(CN2CCC(Cn3cc(C4CCCC4)nn3)CC2)[nH]n1 ZINC000020599806 202050447 /nfs/dbraw/zinc/05/04/47/202050447.db2.gz RPYNIWAPTTZIRD-UHFFFAOYSA-N 0 1 328.464 2.879 50 0 EFAAMN CC(C)CN1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022932846 202094707 /nfs/dbraw/zinc/09/47/07/202094707.db2.gz GHJVYJDVXCSCKT-HNNXBMFYSA-N 0 1 333.501 2.821 50 0 EFAAMN COc1cccc(C[C@@H]2CN(C3CSCCSC3)CCO2)c1 ZINC000023340209 202103014 /nfs/dbraw/zinc/10/30/14/202103014.db2.gz LDKHYMQFLYYXAF-QGZVFWFLSA-N 0 1 339.526 2.787 50 0 EFAAMN CN1CCN([C@@H](CNC(=O)c2ccco2)c2ccc(Cl)cc2)CC1 ZINC000028287478 202169227 /nfs/dbraw/zinc/16/92/27/202169227.db2.gz XQOLYOQIXJRGCQ-INIZCTEOSA-N 0 1 347.846 2.652 50 0 EFAAMN Cc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000031392363 202205307 /nfs/dbraw/zinc/20/53/07/202205307.db2.gz NHTPPZKMXGJGPT-GOSISDBHSA-N 0 1 326.440 2.557 50 0 EFAAMN CCc1nc2n(n1)C(CC(=O)Nc1cccc3ccccc31)C(=O)N2 ZINC000031815885 202210930 /nfs/dbraw/zinc/21/09/30/202210930.db2.gz OIDHCVYIUOHRQR-CQSZACIVSA-N 0 1 335.367 2.516 50 0 EFAAMN Cc1cc(S(=O)(=O)Nc2ccccn2)ccc1Br ZINC000037385865 202339777 /nfs/dbraw/zinc/33/97/77/202339777.db2.gz ICPRSELLKWDYAG-UHFFFAOYSA-N 0 1 327.203 2.953 50 0 EFAAMN Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1Br ZINC000037385859 202340580 /nfs/dbraw/zinc/34/05/80/202340580.db2.gz KPQQZKKQCPQCFN-UHFFFAOYSA-N 0 1 327.203 2.953 50 0 EFAAMN CCCc1cncnc1N1CCC2(C[C@H](C(=O)[O-])[N@@H+](CCC)C2)CC1 ZINC000072433122 216226616 /nfs/dbraw/zinc/22/66/16/216226616.db2.gz XRKPYOZNMWHVGJ-MRXNPFEDSA-N 0 1 346.475 2.585 50 0 EFAAMN Cc1ccc(CN(C)C(=O)CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000058227077 201141991 /nfs/dbraw/zinc/14/19/91/201141991.db2.gz KJBTUYCEQUTKDK-UHFFFAOYSA-N 0 1 326.444 2.556 50 0 EFAAMN CN1CCN([C@@H](CNC(=O)c2ccc(F)cc2)c2ccsc2)CC1 ZINC000022765501 212322352 /nfs/dbraw/zinc/32/23/52/212322352.db2.gz FOWQHTCAOHQVHR-KRWDZBQOSA-N 0 1 347.459 2.606 50 0 EFAAMN Cc1ccc(-c2cc3n(n2)[C@@H](NCCc2ccccc2)CNC3=O)cc1 ZINC000263616858 240386816 /nfs/dbraw/zinc/38/68/16/240386816.db2.gz KXINLZZVHQPYTD-HXUWFJFHSA-N 0 1 346.434 2.933 50 0 EFAAMN Cc1nn[nH]c1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000194006337 240398270 /nfs/dbraw/zinc/39/82/70/240398270.db2.gz JVBSQXGIKKOWCF-GFCCVEGCSA-N 0 1 341.198 2.634 50 0 EFAAMN C[C@H]1CCc2[nH]nc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2C1 ZINC000214986415 241099394 /nfs/dbraw/zinc/09/93/94/241099394.db2.gz CSIXJOYLHSOQLR-LBPRGKRZSA-N 0 1 341.459 2.799 50 0 EFAAMN Fc1ccc(CN2CCCN(Cc3cnn4cccnc34)CC2)cc1 ZINC000215216889 241113410 /nfs/dbraw/zinc/11/34/10/241113410.db2.gz NGFXJGUZXAZCSO-UHFFFAOYSA-N 0 1 339.418 2.576 50 0 EFAAMN CN1CCN([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000215281300 241117533 /nfs/dbraw/zinc/11/75/33/241117533.db2.gz QSZXEWKMZZQVLH-OAQYLSRUSA-N 0 1 349.478 2.816 50 0 EFAAMN Cc1cccnc1CN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000215390598 241121833 /nfs/dbraw/zinc/12/18/33/241121833.db2.gz IJVSEDGTOBUVAV-UHFFFAOYSA-N 0 1 347.466 2.894 50 0 EFAAMN Cc1nc2ccc(C)cn2c1C(=O)N1CC(N2CCCC[C@H]2C)C1 ZINC000215714543 241140221 /nfs/dbraw/zinc/14/02/21/241140221.db2.gz VJGRTIXUIIMFAS-CQSZACIVSA-N 0 1 326.444 2.650 50 0 EFAAMN COc1cccc(C[NH+]2CCC(F)(F)CC2)c1O[C@@H](C)C(=O)[O-] ZINC000216246706 241178704 /nfs/dbraw/zinc/17/87/04/241178704.db2.gz WIFNVPIRUKNOGX-NSHDSACASA-N 0 1 329.343 2.778 50 0 EFAAMN CCCS(=O)(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000216525239 241197578 /nfs/dbraw/zinc/19/75/78/241197578.db2.gz GMDWRTYESGCLAZ-UHFFFAOYSA-N 0 1 339.848 2.828 50 0 EFAAMN O=C([O-])[C@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+](CC2CC2)C1 ZINC000217625402 241262870 /nfs/dbraw/zinc/26/28/70/241262870.db2.gz WSJFAWIXBLDYCK-MRXNPFEDSA-N 0 1 328.412 2.661 50 0 EFAAMN Cc1ccc(-c2cc(CNC(=O)c3ccc4[nH]nnc4c3)no2)cc1 ZINC000218948588 241354038 /nfs/dbraw/zinc/35/40/38/241354038.db2.gz RCBUNQLLTDGQHY-UHFFFAOYSA-N 0 1 333.351 2.851 50 0 EFAAMN O=C(NCCCc1ncc[nH]1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000219264004 241372318 /nfs/dbraw/zinc/37/23/18/241372318.db2.gz NZKRMTNKMYLXLU-KRWDZBQOSA-N 0 1 326.444 2.513 50 0 EFAAMN Cc1ccc2nc(CCCNC(=O)[C@@H](C)n3cccn3)[nH]c2c1C ZINC000219380160 241382889 /nfs/dbraw/zinc/38/28/89/241382889.db2.gz IIPVKSLICXBFLB-CQSZACIVSA-N 0 1 325.416 2.686 50 0 EFAAMN COCCc1noc([C@@H]2CCCN2Cc2nc3ccc(C)cc3[nH]2)n1 ZINC000244708180 243062541 /nfs/dbraw/zinc/06/25/41/243062541.db2.gz KPCQVGXVURPMEA-HNNXBMFYSA-N 0 1 341.415 2.780 50 0 EFAAMN CN1CCC([N@H+](Cc2ccncc2)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000243893742 243030747 /nfs/dbraw/zinc/03/07/47/243030747.db2.gz ATNKCUOJYWOPGB-UHFFFAOYSA-N 0 1 339.439 2.876 50 0 EFAAMN CN1CCC([N@@H+](Cc2ccncc2)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000243893742 243030763 /nfs/dbraw/zinc/03/07/63/243030763.db2.gz ATNKCUOJYWOPGB-UHFFFAOYSA-N 0 1 339.439 2.876 50 0 EFAAMN C[C@H](CCC(=O)N(C)Cc1cccc2cnccc21)N1CCOCC1 ZINC000244574760 243042346 /nfs/dbraw/zinc/04/23/46/243042346.db2.gz CQWKPJSQAZWDPL-MRXNPFEDSA-N 0 1 341.455 2.694 50 0 EFAAMN O=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)c1ccc[nH]c1=O ZINC000244601983 243043496 /nfs/dbraw/zinc/04/34/96/243043496.db2.gz DVPSZFAHDSOITI-KRWDZBQOSA-N 0 1 343.402 2.883 50 0 EFAAMN O=C(N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1)c1n[nH]cc1Cl ZINC000244601992 243045722 /nfs/dbraw/zinc/04/57/22/243045722.db2.gz DVTZNIPEHISLBD-BZTNIEFMSA-N 0 1 341.745 2.583 50 0 EFAAMN O=C(Cc1[nH]nc2ccccc21)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244773775 243078025 /nfs/dbraw/zinc/07/80/25/243078025.db2.gz PGEVTCYHLGBXMR-STXHMFSFSA-N 0 1 335.407 2.734 50 0 EFAAMN CCN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000020608849 212153873 /nfs/dbraw/zinc/15/38/73/212153873.db2.gz MJRVYZMARXKYJF-UHFFFAOYSA-N 0 1 344.484 2.695 50 0 EFAAMN CCc1nnsc1C(=O)N(C)CCc1nc2cccc(C)c2[nH]1 ZINC000071779994 203112836 /nfs/dbraw/zinc/11/28/36/203112836.db2.gz CUBQCUZQWROZHM-UHFFFAOYSA-N 0 1 329.429 2.600 50 0 EFAAMN COCc1c(C)onc1C(=O)NCc1nc2ccc(C)c(C)c2[nH]1 ZINC000071613772 203101207 /nfs/dbraw/zinc/10/12/07/203101207.db2.gz XDROMWFPOMQUPO-UHFFFAOYSA-N 0 1 328.372 2.553 50 0 EFAAMN CC[C@@H]1CN(Cc2cnc(C)[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071708056 203103725 /nfs/dbraw/zinc/10/37/25/203103725.db2.gz SJEBPOUDNZKGHH-GOSISDBHSA-N 0 1 326.444 2.731 50 0 EFAAMN CC[C@H]1CN(Cc2cnc(C)[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071708057 203103947 /nfs/dbraw/zinc/10/39/47/203103947.db2.gz SJEBPOUDNZKGHH-SFHVURJKSA-N 0 1 326.444 2.731 50 0 EFAAMN O=C(c1cc(-c2ccc(O)cc2)[nH]n1)N1CCC2(CCCO2)CC1 ZINC000071715276 203105563 /nfs/dbraw/zinc/10/55/63/203105563.db2.gz JQZMZCUGWVREGU-UHFFFAOYSA-N 0 1 327.384 2.568 50 0 EFAAMN Cc1nc[nH]c1-c1nccn1[C@@H](CCn1cncn1)c1ccccc1 ZINC000071762783 203110238 /nfs/dbraw/zinc/11/02/38/203110238.db2.gz RYPHGKHJHYGYNM-INIZCTEOSA-N 0 1 333.399 2.853 50 0 EFAAMN Cc1cccc2nc(C3CC[NH+](Cc4c[nH]nc4C(=O)[O-])CC3)[nH]c21 ZINC000071762004 203110831 /nfs/dbraw/zinc/11/08/31/203110831.db2.gz OCZJDLHGPHBDMG-UHFFFAOYSA-N 0 1 339.399 2.672 50 0 EFAAMN Cn1cnnc1Sc1ccc(CN[C@@H]2COc3ccccc3C2)o1 ZINC000020363248 212122087 /nfs/dbraw/zinc/12/20/87/212122087.db2.gz JPJCJYAZJKRMNN-ZDUSSCGKSA-N 0 1 342.424 2.653 50 0 EFAAMN CCN(CC)Cc1cc(C(=O)N2CCCn3cncc3C2)c(C)o1 ZINC000072146818 203170844 /nfs/dbraw/zinc/17/08/44/203170844.db2.gz JYBWVZWJXNSHSX-UHFFFAOYSA-N 0 1 330.432 2.672 50 0 EFAAMN O=C(CCc1cccnc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072133388 203167209 /nfs/dbraw/zinc/16/72/09/203167209.db2.gz NNNWHKZUHJGFEP-OAQYLSRUSA-N 0 1 349.478 2.716 50 0 EFAAMN COc1c[nH]c(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1=O ZINC000072138691 203168249 /nfs/dbraw/zinc/16/82/49/203168249.db2.gz GCTPAIDLOBSNMR-HNNXBMFYSA-N 0 1 342.374 2.736 50 0 EFAAMN CCNc1ncc(CN2CCCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000072145846 203169796 /nfs/dbraw/zinc/16/97/96/203169796.db2.gz AMTDSUDQOQSLJX-UHFFFAOYSA-N 0 1 343.450 2.755 50 0 EFAAMN CN(Cc1cc2n(n1)CCNC2)Cc1cnc(-c2ccccc2)s1 ZINC000072145468 203170143 /nfs/dbraw/zinc/17/01/43/203170143.db2.gz BQKJVRMLYOKICW-UHFFFAOYSA-N 0 1 339.468 2.742 50 0 EFAAMN COCCc1noc(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 ZINC000072150874 203173808 /nfs/dbraw/zinc/17/38/08/203173808.db2.gz JWUPGDUJSOXTNN-CQSZACIVSA-N 0 1 345.378 2.611 50 0 EFAAMN CCc1cc([C@@H](C)Nc2nc(-c3cccnc3)nc3c2CNC3)on1 ZINC000072153489 203174991 /nfs/dbraw/zinc/17/49/91/203174991.db2.gz COQIPTYJEIPCFM-LLVKDONJSA-N 0 1 336.399 2.865 50 0 EFAAMN Fc1cccc([C@H]2CN(Cc3ncc[nH]3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000072163222 203177848 /nfs/dbraw/zinc/17/78/48/203177848.db2.gz IHWATVNLCVYWEA-NIKGAXFTSA-N 0 1 344.409 2.750 50 0 EFAAMN Cn1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000072164067 203178137 /nfs/dbraw/zinc/17/81/37/203178137.db2.gz YKUGRKVTEHMSPM-UHFFFAOYSA-N 0 1 339.361 2.923 50 0 EFAAMN Cc1ccc2ccccc2c1Cn1ncc(N2CCN(C)CC2)cc1=O ZINC000072166177 203179110 /nfs/dbraw/zinc/17/91/10/203179110.db2.gz VQNJSUCGMNYDTC-UHFFFAOYSA-N 0 1 348.450 2.505 50 0 EFAAMN C[C@@]1(O)CCN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1Cc1ccccc1 ZINC000072166138 203180038 /nfs/dbraw/zinc/18/00/38/203180038.db2.gz NEOUCSIMFJGRTO-OXJNMPFZSA-N 0 1 339.439 2.743 50 0 EFAAMN Cc1csc(C[NH+]2CCC(Oc3ccc(C)nc3)(C(=O)[O-])CC2)n1 ZINC000072453839 203227188 /nfs/dbraw/zinc/22/71/88/203227188.db2.gz FRMKWRCXANVQRY-UHFFFAOYSA-N 0 1 347.440 2.653 50 0 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O=C(CN1CCCCC1)NCc1cccnc1N1CCCCCCC1 ZINC000012707575 471790177 /nfs/dbraw/zinc/79/01/77/471790177.db2.gz YPGRXKDJKYXVOC-UHFFFAOYSA-N 0 1 344.503 2.954 50 0 EFAAMN CN(C)[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1 ZINC000013011194 471812260 /nfs/dbraw/zinc/81/22/60/471812260.db2.gz BYLLFOQNZOLRGA-OAHLLOKOSA-N 0 1 342.420 2.887 50 0 EFAAMN Cc1ccc(NC(=O)Cc2c(O)nc3[nH]c4ccccc4n32)c(C)c1 ZINC000013683985 471838261 /nfs/dbraw/zinc/83/82/61/471838261.db2.gz JZOPZSGLAJGSDJ-MRXNPFEDSA-N 0 1 334.379 2.829 50 0 EFAAMN COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 471878282 /nfs/dbraw/zinc/87/82/82/471878282.db2.gz GLAAQZFBFGEBPS-UHFFFAOYSA-N 0 1 330.292 2.594 50 0 biogenic,in-vitro EFAAMN COc1cccc(CN2CCC[C@@H](NC(=O)CC(F)(F)F)C2)c1 ZINC000014949288 471883183 /nfs/dbraw/zinc/88/31/83/471883183.db2.gz UKDGCJADGIRHEZ-CYBMUJFWSA-N 0 1 330.350 2.728 50 0 EFAAMN COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2OC)cc1 ZINC000015117976 471890470 /nfs/dbraw/zinc/89/04/70/471890470.db2.gz 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Cn1c2ccccc2cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1=O ZINC000097244218 472487014 /nfs/dbraw/zinc/48/70/14/472487014.db2.gz LUKUZFNBDKVJCA-MRXNPFEDSA-N 0 1 328.412 2.758 50 0 EFAAMN COCc1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)n[nH]1 ZINC000097480045 472498465 /nfs/dbraw/zinc/49/84/65/472498465.db2.gz MNVSHNLYDHJILL-UHFFFAOYSA-N 0 1 343.383 2.892 50 0 EFAAMN CN(C)C(=O)c1ccc(CN2CCCC[C@H]2CCn2cccn2)o1 ZINC000077322165 472503446 /nfs/dbraw/zinc/50/34/46/472503446.db2.gz YDMULKFKMLXQHS-HNNXBMFYSA-N 0 1 330.432 2.623 50 0 EFAAMN Cc1nc(C)c(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccncc2)s1 ZINC000097742622 472506633 /nfs/dbraw/zinc/50/66/33/472506633.db2.gz KNEHRKHHOAZSGX-OAHLLOKOSA-N 0 1 339.424 2.666 50 0 EFAAMN CCc1cn[nH]c1C1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000077456420 472530308 /nfs/dbraw/zinc/53/03/08/472530308.db2.gz YNWKPYJBBSLVAW-UHFFFAOYSA-N 0 1 327.428 2.929 50 0 EFAAMN CCc1nc(SCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n[nH]1 ZINC000077460090 472530823 /nfs/dbraw/zinc/53/08/23/472530823.db2.gz KSRCWMLSAHIZCY-GFCCVEGCSA-N 0 1 334.420 2.614 50 0 EFAAMN CCc1n[nH]c(SCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000077460090 472530831 /nfs/dbraw/zinc/53/08/31/472530831.db2.gz KSRCWMLSAHIZCY-GFCCVEGCSA-N 0 1 334.420 2.614 50 0 EFAAMN CN(C)Cc1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)n1C ZINC000077471372 472532612 /nfs/dbraw/zinc/53/26/12/472532612.db2.gz SKAVDRQQRMGEQS-UHFFFAOYSA-N 0 1 347.894 2.910 50 0 EFAAMN Cc1[nH]nc(CCC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1C ZINC000077487350 472535693 /nfs/dbraw/zinc/53/56/93/472535693.db2.gz FQFIGCKPAVMGQS-KRWDZBQOSA-N 0 1 342.443 2.562 50 0 EFAAMN OCCn1nccc1C1CCN(Cc2nc3ccccc3s2)CC1 ZINC000058292626 472537677 /nfs/dbraw/zinc/53/76/77/472537677.db2.gz MYMZAUNQRJCSQA-UHFFFAOYSA-N 0 1 342.468 2.865 50 0 EFAAMN NC(=O)c1csc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000077504657 472541359 /nfs/dbraw/zinc/54/13/59/472541359.db2.gz NIGRDIVYHKGOPX-UHFFFAOYSA-N 0 1 345.403 2.641 50 0 EFAAMN Cc1n[nH]c(-c2nn3c(nnc3C(C)C)s2)c1Br ZINC000071284782 472548035 /nfs/dbraw/zinc/54/80/35/472548035.db2.gz HKDAFBUYVZPVHV-UHFFFAOYSA-N 0 1 327.211 2.770 50 0 EFAAMN Nc1cc[nH+]c(N2CCC(Cc3ccccc3Cl)(C(=O)[O-])CC2)n1 ZINC000071750150 472558021 /nfs/dbraw/zinc/55/80/21/472558021.db2.gz BINXBNFIEPNWBD-UHFFFAOYSA-N 0 1 346.818 2.626 50 0 EFAAMN O=C1C2C(c3ccc(Cl)cc3)=NO[C@H]2C(=O)N1Cc1ccccc1 ZINC000102897880 472598100 /nfs/dbraw/zinc/59/81/00/472598100.db2.gz YSZPMGYXZZKTTA-GDBMZVCRSA-N 0 1 340.766 2.628 50 0 EFAAMN O=C1NC[C@]2(CCCN(Cc3cc4c(cc3Cl)OCO4)CC2)O1 ZINC000072159450 472631130 /nfs/dbraw/zinc/63/11/30/472631130.db2.gz QATQSFFMYGPAKJ-MRXNPFEDSA-N 0 1 338.791 2.533 50 0 EFAAMN C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)[C@H]1C ZINC000104174189 472659538 /nfs/dbraw/zinc/65/95/38/472659538.db2.gz MVQVTVYBAZRSMY-MBNYWOFBSA-N 0 1 345.468 3.000 50 0 EFAAMN C[N@H+](Cc1ccccc1)C[C@H](CC(=O)Nc1ccc(O)cc1)C(=O)[O-] ZINC000072405354 472663102 /nfs/dbraw/zinc/66/31/02/472663102.db2.gz YNIZLPJKDCGLCA-HNNXBMFYSA-N 0 1 342.395 2.554 50 0 EFAAMN Cc1[nH]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000061718730 472716229 /nfs/dbraw/zinc/71/62/29/472716229.db2.gz YOYZGKIJBAHAFB-MRXNPFEDSA-N 0 1 348.468 2.559 50 0 EFAAMN COc1ccc([C@H](O)CN2CCN(c3ccccc3C)CC2)cc1 ZINC000062005054 472727147 /nfs/dbraw/zinc/72/71/47/472727147.db2.gz RVZVXTHGBVWAJA-HXUWFJFHSA-N 0 1 326.440 2.859 50 0 EFAAMN Cc1ccc(-c2cc(C(=O)N3CCCn4cncc4C3)n[nH]2)s1 ZINC000091270261 472750464 /nfs/dbraw/zinc/75/04/64/472750464.db2.gz YTCRMPBVPQVIJZ-UHFFFAOYSA-N 0 1 327.413 2.689 50 0 EFAAMN CCc1cc(N2CC[C@H](Cc3cccc(CO)c3)C2)nc(N(C)C)n1 ZINC000091547803 472775728 /nfs/dbraw/zinc/77/57/28/472775728.db2.gz CQULRSGDFPQNQK-MRXNPFEDSA-N 0 1 340.471 2.666 50 0 EFAAMN CCCO[C@@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)C1 ZINC000091656800 472790533 /nfs/dbraw/zinc/79/05/33/472790533.db2.gz JNGKWLKICQLGAM-OAHLLOKOSA-N 0 1 329.400 2.814 50 0 EFAAMN CCN(CC1CCOCC1)C(=O)c1cc(-c2ccc(O)cc2)[nH]n1 ZINC000091830001 472814024 /nfs/dbraw/zinc/81/40/24/472814024.db2.gz VAYYLIKXLKNJCW-UHFFFAOYSA-N 0 1 329.400 2.671 50 0 EFAAMN CC(C)=CCN1CCN(c2cc(C)nc(C(C)C)n2)C[C@@H]1CCO ZINC000106943166 472917089 /nfs/dbraw/zinc/91/70/89/472917089.db2.gz WVWYFLRBBMMGML-KRWDZBQOSA-N 0 1 332.492 2.748 50 0 EFAAMN CCNc1cc(C)nc(NCCNC(=O)Nc2ccccc2C)n1 ZINC000065363710 472927086 /nfs/dbraw/zinc/92/70/86/472927086.db2.gz JSPZGXVSMTUWAE-UHFFFAOYSA-N 0 1 328.420 2.759 50 0 EFAAMN C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000065388126 472930868 /nfs/dbraw/zinc/93/08/68/472930868.db2.gz PXHYUKMUUSQVJM-GFCCVEGCSA-N 0 1 328.368 2.744 50 0 EFAAMN c1ccc(-c2noc(CNC3CCN(Cc4ccccn4)CC3)n2)cc1 ZINC000065396638 472932303 /nfs/dbraw/zinc/93/23/03/472932303.db2.gz ZBEVPALDFITOGL-UHFFFAOYSA-N 0 1 349.438 2.886 50 0 EFAAMN Cc1cnccc1-n1nc(C2CC2)nc1CCn1nnc2ccccc21 ZINC000065408492 472937094 /nfs/dbraw/zinc/93/70/94/472937094.db2.gz PIUJSRMXNHZCFH-UHFFFAOYSA-N 0 1 345.410 2.836 50 0 EFAAMN Nc1nc(NCc2ccc(Cl)nc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000065408512 472937261 /nfs/dbraw/zinc/93/72/61/472937261.db2.gz SEECKTUDSSHNIT-UHFFFAOYSA-N 0 1 329.747 2.571 50 0 EFAAMN Fc1ccc([C@@]2(CNCc3nc(-c4ccco4)no3)CCOC2)cc1 ZINC000065429389 472941550 /nfs/dbraw/zinc/94/15/50/472941550.db2.gz KTNHBNBTNFPVEY-GOSISDBHSA-N 0 1 343.358 2.917 50 0 EFAAMN COc1cccc([C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)c1 ZINC000049420912 472948262 /nfs/dbraw/zinc/94/82/62/472948262.db2.gz MNVQQDLHFZCDQL-FQEVSTJZSA-N 0 1 326.440 2.859 50 0 biogenic EFAAMN Cc1nc(C)n(C[C@H](C)c2nc(C3CC3)nn2-c2ccncc2C)n1 ZINC000065494337 472955670 /nfs/dbraw/zinc/95/56/70/472955670.db2.gz XLJKZQFLEYHMFR-LBPRGKRZSA-N 0 1 337.431 2.860 50 0 EFAAMN Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)n1 ZINC000095354435 473190793 /nfs/dbraw/zinc/19/07/93/473190793.db2.gz YCYSLQCSIBYGPC-DOTOQJQBSA-N 0 1 342.418 2.594 50 0 EFAAMN CC(C)[N@@H+](C)CCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095376359 473193358 /nfs/dbraw/zinc/19/33/58/473193358.db2.gz AHJKCAYNDZBDAP-KRWDZBQOSA-N 0 1 332.444 2.821 50 0 EFAAMN Cc1[nH+]ccn1CC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000215944720 474139368 /nfs/dbraw/zinc/13/93/68/474139368.db2.gz KJKLNWBDOVYPJM-QGZVFWFLSA-N 0 1 349.438 2.965 50 0 EFAAMN O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1ccc(Cl)s1 ZINC000219773358 474147643 /nfs/dbraw/zinc/14/76/43/474147643.db2.gz MXJDXVSIGOYKAB-UHFFFAOYSA-N 0 1 333.804 2.554 50 0 EFAAMN O=C(NCCc1n[nH]c(-c2cccnc2)n1)c1ccc(Cl)s1 ZINC000219773358 474147647 /nfs/dbraw/zinc/14/76/47/474147647.db2.gz MXJDXVSIGOYKAB-UHFFFAOYSA-N 0 1 333.804 2.554 50 0 EFAAMN Cc1cc(CC(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)on1 ZINC000219813196 474149792 /nfs/dbraw/zinc/14/97/92/474149792.db2.gz CPNVUYHCZHMMOL-UHFFFAOYSA-N 0 1 332.791 2.804 50 0 EFAAMN COc1cc(OC)c(C(=O)NCc2cc(C(C)(C)C)[nH]n2)cc1OC ZINC000220127350 474152425 /nfs/dbraw/zinc/15/24/25/474152425.db2.gz HZJUOPHMBVEPHT-UHFFFAOYSA-N 0 1 347.415 2.663 50 0 EFAAMN Cc1nc(C(C)C)sc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 ZINC000220059113 474152952 /nfs/dbraw/zinc/15/29/52/474152952.db2.gz LSDNOJCUJNVDOI-LXTVHRRPSA-N 0 1 349.500 2.556 50 0 EFAAMN CCc1nnc(CN(C)C(=O)[C@H]2CCCCN2Cc2ccccc2)o1 ZINC000220498996 474156724 /nfs/dbraw/zinc/15/67/24/474156724.db2.gz FSFHJSPGFUABPD-MRXNPFEDSA-N 0 1 342.443 2.645 50 0 EFAAMN CN(C)c1cccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000222368110 474167571 /nfs/dbraw/zinc/16/75/71/474167571.db2.gz BEPJKINNSXNLAN-UHFFFAOYSA-N 0 1 349.478 2.678 50 0 EFAAMN Cc1nc2cccc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2[nH]1 ZINC000223441553 474185432 /nfs/dbraw/zinc/18/54/32/474185432.db2.gz FOHXRPBRSMSWJT-DCGLDWPTSA-N 0 1 336.395 2.508 50 0 EFAAMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220458 474250501 /nfs/dbraw/zinc/25/05/01/474250501.db2.gz UAGPPCIGYYEKJB-ZIAGYGMSSA-N 0 1 344.484 2.624 50 0 EFAAMN O=C(CN1CCCC[C@@H]1CCn1cccn1)Nc1ccc(F)cc1 ZINC000244795144 474566828 /nfs/dbraw/zinc/56/68/28/474566828.db2.gz RALZDRVBTPLKIK-QGZVFWFLSA-N 0 1 330.407 2.906 50 0 EFAAMN CN(Cc1nnc(-c2ccco2)o1)C[C@@H]1Cc2ccccc2CN1C ZINC000244900013 474568043 /nfs/dbraw/zinc/56/80/43/474568043.db2.gz ZUJYLYQHQKKBGT-INIZCTEOSA-N 0 1 338.411 2.818 50 0 EFAAMN CCCc1ccc(C[NH+]2CCC(c3cc(CC(=O)[O-])n[nH]3)CC2)o1 ZINC000252483892 474669144 /nfs/dbraw/zinc/66/91/44/474669144.db2.gz FKSZAMOZRDNYDE-UHFFFAOYSA-N 0 1 331.416 2.962 50 0 EFAAMN CC(C)Cn1ccc2c1cccc2OCC(=O)NCCc1cnc[nH]1 ZINC000253408723 474741563 /nfs/dbraw/zinc/74/15/63/474741563.db2.gz KZSKAPKQAVSHEX-UHFFFAOYSA-N 0 1 340.427 2.758 50 0 biogenic EFAAMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 ZINC000253471917 474760284 /nfs/dbraw/zinc/76/02/84/474760284.db2.gz GPCWHQYQIGITQD-NSHDSACASA-N 0 1 339.355 2.560 50 0 EFAAMN CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000413818981 476746624 /nfs/dbraw/zinc/74/66/24/476746624.db2.gz POINIJVSQUVNBY-CQSZACIVSA-N 0 1 329.366 2.941 50 0 EFAAMN C[C@@H](c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCOCC1 ZINC000426359901 477706660 /nfs/dbraw/zinc/70/66/60/477706660.db2.gz NYNBAOHUJZREDZ-AWEZNQCLSA-N 0 1 335.411 2.927 50 0 EFAAMN CC(C)c1noc(CSc2nnc(CN)n2Cc2ccccc2)n1 ZINC000426444601 477710959 /nfs/dbraw/zinc/71/09/59/477710959.db2.gz MODIGGYAAJNCBP-UHFFFAOYSA-N 0 1 344.444 2.584 50 0 EFAAMN CC[C@@H](COC)NC(=O)N(CC)CCc1nc2ccc(C)cc2[nH]1 ZINC000426531070 477715290 /nfs/dbraw/zinc/71/52/90/477715290.db2.gz WRFGNXUYCXHRQL-AWEZNQCLSA-N 0 1 332.448 2.870 50 0 EFAAMN Cc1ncsc1CSc1nnc(CN)n1-c1ccc(F)cc1 ZINC000426551784 477720956 /nfs/dbraw/zinc/72/09/56/477720956.db2.gz JPYYIAKJIQPJCN-UHFFFAOYSA-N 0 1 335.433 2.922 50 0 EFAAMN O=C(c1ccc2scnc2c1)N1CCN(C2CCSCC2)CC1 ZINC000426620288 477727814 /nfs/dbraw/zinc/72/78/14/477727814.db2.gz SOLMNNBILPZOSX-UHFFFAOYSA-N 0 1 347.509 2.950 50 0 EFAAMN Cc1nc([C@@H]2CCCN2C(=O)c2cnc(C)nc2-c2ccccc2)n[nH]1 ZINC000426634184 477729440 /nfs/dbraw/zinc/72/94/40/477729440.db2.gz LVMZFNUYLBYXSZ-INIZCTEOSA-N 0 1 348.410 2.856 50 0 EFAAMN NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1 ZINC000426651270 477732245 /nfs/dbraw/zinc/73/22/45/477732245.db2.gz IFCACKAVFAVQKR-INIZCTEOSA-N 0 1 348.406 2.567 50 0 EFAAMN O=C([O-])Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000426701600 477739884 /nfs/dbraw/zinc/73/98/84/477739884.db2.gz MHWCQJJBXHREST-INIZCTEOSA-N 0 1 338.411 2.829 50 0 EFAAMN C[C@@H](CN1CCc2ccccc2C1)NC(=O)CCc1cccn1C ZINC000426711999 477741286 /nfs/dbraw/zinc/74/12/86/477741286.db2.gz HMLQEALGHOCJNC-INIZCTEOSA-N 0 1 325.456 2.521 50 0 EFAAMN Cc1ccc2nc(CN(C)C(=O)NCCCC(C)(C)CO)[nH]c2c1 ZINC000426719798 477742151 /nfs/dbraw/zinc/74/21/51/477742151.db2.gz DZBBHVLCDMZHMW-UHFFFAOYSA-N 0 1 332.448 2.811 50 0 EFAAMN Cc1ccc(C)c(OCCCN(C)C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000534642238 478164154 /nfs/dbraw/zinc/16/41/54/478164154.db2.gz PUKSOFOHYFQAPM-KRWDZBQOSA-N 0 1 333.476 2.808 50 0 EFAAMN Cc1nc2cc(CNC(=O)[C@H](Cc3ccccc3)N(C)C)ccc2[nH]1 ZINC000584899185 479275049 /nfs/dbraw/zinc/27/50/49/479275049.db2.gz LSJRENNOPQWMPX-IBGZPJMESA-N 0 1 336.439 2.660 50 0 EFAAMN Cc1nc2ccc(CNC(=O)[C@H](Cc3ccccc3)N(C)C)cc2[nH]1 ZINC000584899185 479275056 /nfs/dbraw/zinc/27/50/56/479275056.db2.gz LSJRENNOPQWMPX-IBGZPJMESA-N 0 1 336.439 2.660 50 0 EFAAMN CC[C@@H](NC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)c1nc(C)no1 ZINC000584897652 479275730 /nfs/dbraw/zinc/27/57/30/479275730.db2.gz MVWDIUIZLGZMCN-GFCCVEGCSA-N 0 1 342.403 2.855 50 0 EFAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575613444 479454003 /nfs/dbraw/zinc/45/40/03/479454003.db2.gz QRFHKKAXDPCKRZ-HNNXBMFYSA-N 0 1 349.394 2.550 50 0 EFAAMN Cc1noc2nc(C(C)C)cc(C(=O)N3CCc4nc[nH]c4C3)c12 ZINC000646257870 481185935 /nfs/dbraw/zinc/18/59/35/481185935.db2.gz OAIWZZSVOTUJMC-UHFFFAOYSA-N 0 1 325.372 2.576 50 0 EFAAMN CN(CCC(=O)Nc1nccs1)Cc1[nH]nc2c1CCCCC2 ZINC000244708167 536307767 /nfs/dbraw/zinc/30/77/67/536307767.db2.gz KOWCNSDMGVKMQH-UHFFFAOYSA-N 0 1 333.461 2.596 50 0 EFAAMN COc1ccc(-c2ccc(C(=O)NCc3cc(C4CC4)[nH]n3)cc2)nn1 ZINC000426571870 536896197 /nfs/dbraw/zinc/89/61/97/536896197.db2.gz ZFHLBMHVWAFTBY-UHFFFAOYSA-N 0 1 349.394 2.683 50 0 EFAAMN 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Cc1ccccc1-c1ncc(CN2CCC3(CNC(=O)C3)CC2)cn1 ZINC000065530506 472968469 /nfs/dbraw/zinc/96/84/69/472968469.db2.gz KYQCYSJCVVLXHQ-UHFFFAOYSA-N 0 1 336.439 2.554 50 0 EFAAMN COc1cc(-c2nc(-c3ccc(OC)c(O)c3)n[nH]2)cc2c1OCO2 ZINC000066087953 473044482 /nfs/dbraw/zinc/04/44/82/473044482.db2.gz FKWHMPFOTVHRFD-UHFFFAOYSA-N 0 1 341.323 2.590 50 0 EFAAMN COc1cc(-c2n[nH]c(-c3ccc(OC)c(O)c3)n2)cc2c1OCO2 ZINC000066087953 473044485 /nfs/dbraw/zinc/04/44/85/473044485.db2.gz FKWHMPFOTVHRFD-UHFFFAOYSA-N 0 1 341.323 2.590 50 0 EFAAMN CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000075162049 473143585 /nfs/dbraw/zinc/14/35/85/473143585.db2.gz JVYPVWBGDGODIN-UHFFFAOYSA-N 0 1 347.227 2.650 50 0 EFAAMN COc1ccc([C@H](C(=O)[O-])[N@@H+](C)CCn2ccnc2C)cc1Cl ZINC000095352240 473189214 /nfs/dbraw/zinc/18/92/14/473189214.db2.gz TUFKQPYQZXDLIG-OAHLLOKOSA-N 0 1 337.807 2.611 50 0 EFAAMN COc1ccc([C@@H](C(=O)[O-])[N@@H+](C)CCn2ccnc2C)cc1Cl ZINC000095352239 473189960 /nfs/dbraw/zinc/18/99/60/473189960.db2.gz 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/nfs/dbraw/zinc/85/76/23/211857623.db2.gz OUXQMOVVLSSSFK-INIZCTEOSA-N 0 1 332.375 2.751 50 0 EFAAMN COCC[C@H]1CCCCN1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000426381803 247272180 /nfs/dbraw/zinc/27/21/80/247272180.db2.gz UVFDZIMGZVRMOT-CQSZACIVSA-N 0 1 330.432 2.972 50 0 EFAAMN Cn1nc(C(=O)NCc2ccc3nc[nH]c3c2)cc1-c1cccs1 ZINC000426394772 247274380 /nfs/dbraw/zinc/27/43/80/247274380.db2.gz YWCAUUJSGPLEPT-UHFFFAOYSA-N 0 1 337.408 2.955 50 0 EFAAMN CCc1nc(C)sc1C[N@H+]1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426465080 247283137 /nfs/dbraw/zinc/28/31/37/247283137.db2.gz DCCDRXNILFROEJ-CYBMUJFWSA-N 0 1 348.472 2.675 50 0 EFAAMN CNCc1nnc(SC[C@H]2CCCOC2)n1-c1cccc(OC)c1 ZINC000426471347 247283164 /nfs/dbraw/zinc/28/31/64/247283164.db2.gz KZCLJTMVCGNYCQ-ZDUSSCGKSA-N 0 1 348.472 2.514 50 0 EFAAMN O=C(NCc1n[nH]c2c1CCC2)N1CCCC[C@H]1c1nccs1 ZINC000426475306 247284701 /nfs/dbraw/zinc/28/47/01/247284701.db2.gz BGNBVDFUNBCLPP-AWEZNQCLSA-N 0 1 331.445 2.792 50 0 EFAAMN CO[C@]12CCN(Cc3nc(C)c(C)n3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426562993 247291499 /nfs/dbraw/zinc/29/14/99/247291499.db2.gz MQYYLSHKYMJTGB-WSTZPKSXSA-N 0 1 347.503 2.976 50 0 EFAAMN O=C([O-])Cn1ccc([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)n1 ZINC000426563418 247292645 /nfs/dbraw/zinc/29/26/45/247292645.db2.gz SFODGUKDSJHPNV-HNNXBMFYSA-N 0 1 338.411 2.829 50 0 EFAAMN O=C([O-])Cn1ccc([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)n1 ZINC000426361652 247267301 /nfs/dbraw/zinc/26/73/01/247267301.db2.gz FBMOPKHLYNDBON-IOMDMTNGSA-N 0 1 325.412 2.861 50 0 EFAAMN CNCc1nnc(SC[C@@H]2CCCO2)n1-c1cccc(Cl)c1 ZINC000426376301 247271372 /nfs/dbraw/zinc/27/13/72/247271372.db2.gz JODSHLYSBKDYJK-ZDUSSCGKSA-N 0 1 338.864 2.911 50 0 EFAAMN Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000010385403 291657413 /nfs/dbraw/zinc/65/74/13/291657413.db2.gz NDSXEAOGJROIBK-GDBMZVCRSA-N 0 1 327.432 2.674 50 0 EFAAMN Cc1ncc(CN[C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)n1C ZINC000012430916 211377817 /nfs/dbraw/zinc/37/78/17/211377817.db2.gz GECILACKQGQSFB-SFHVURJKSA-N 0 1 348.450 2.772 50 0 EFAAMN O=C(c1cnc[nH]1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012445188 211384031 /nfs/dbraw/zinc/38/40/31/211384031.db2.gz GJFWADMYFMWYRK-ZDUSSCGKSA-N 0 1 339.317 2.512 50 0 EFAAMN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccccc2Cl)s1 ZINC000012379813 211362315 /nfs/dbraw/zinc/36/23/15/211362315.db2.gz OBLDOWLIYRXQQE-UHFFFAOYSA-N 0 1 331.806 2.556 50 0 EFAAMN COc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1OC ZINC000012348467 211353780 /nfs/dbraw/zinc/35/37/80/211353780.db2.gz IFQOJHNDJIJYRJ-CQSZACIVSA-N 0 1 334.441 2.798 50 0 EFAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2C)ccc1O ZINC000012323976 211348153 /nfs/dbraw/zinc/34/81/53/211348153.db2.gz HYGRCIWQZHAVJG-SFHVURJKSA-N 0 1 335.363 2.966 50 0 EFAAMN Cc1nc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)c[nH]1 ZINC000012302733 211339281 /nfs/dbraw/zinc/33/92/81/211339281.db2.gz CQOWXMZPZFKPDA-QGZVFWFLSA-N 0 1 334.423 2.762 50 0 EFAAMN CN(C)[C@@H](CNC(=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000012196100 211317696 /nfs/dbraw/zinc/31/76/96/211317696.db2.gz GZEMIGFDEUKUOO-HNNXBMFYSA-N 0 1 330.359 2.587 50 0 EFAAMN CN(C)[C@@H](CNC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000012196273 211317474 /nfs/dbraw/zinc/31/74/74/211317474.db2.gz AXIXQOWHZPSKMT-KRWDZBQOSA-N 0 1 340.423 2.767 50 0 biogenic EFAAMN CN(C)[C@H](CNC(=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000012196097 211317198 /nfs/dbraw/zinc/31/71/98/211317198.db2.gz PMNHSSLNOYYEBG-OAHLLOKOSA-N 0 1 330.359 2.587 50 0 EFAAMN Cn1cc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cn1 ZINC000012112043 211290807 /nfs/dbraw/zinc/29/08/07/211290807.db2.gz NJDJRSYXLWZIJN-UHFFFAOYSA-N 0 1 333.863 2.891 50 0 EFAAMN COCC[N@H+]1CC[C@H](CNc2cc(C)nc(-c3ccccc3[O-])n2)C1 ZINC000091505166 218014893 /nfs/dbraw/zinc/01/48/93/218014893.db2.gz IRFJTCZHTFKXDH-OAHLLOKOSA-N 0 1 342.443 2.538 50 0 EFAAMN CNc1nc(NC[C@@H]2COc3cc(OC)ccc3C2)nc2c1CCC2 ZINC000091410879 218002176 /nfs/dbraw/zinc/00/21/76/218002176.db2.gz WKINOEKGAGYNSP-GFCCVEGCSA-N 0 1 340.427 2.679 50 0 EFAAMN CCn1nc(C)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)c1C ZINC000091410666 218002468 /nfs/dbraw/zinc/00/24/68/218002468.db2.gz ITBTYCRDFBFDIB-ZWKOTPCHSA-N 0 1 345.418 2.959 50 0 EFAAMN Cc1c[nH]c(CN2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091441553 218006353 /nfs/dbraw/zinc/00/63/53/218006353.db2.gz UQRQBAKAQWFARC-LJQANCHMSA-N 0 1 330.476 2.865 50 0 EFAAMN CC(C)c1nnsc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091452653 218009095 /nfs/dbraw/zinc/00/90/95/218009095.db2.gz HSSOUQYTVVRCHH-DYVFJYSZSA-N 0 1 339.505 2.661 50 0 EFAAMN Cc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ncn1 ZINC000011902791 211265082 /nfs/dbraw/zinc/26/50/82/211265082.db2.gz LGARBGUETVROEF-UHFFFAOYSA-N 0 1 347.425 2.786 50 0 EFAAMN COc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1O ZINC000091504166 218014080 /nfs/dbraw/zinc/01/40/80/218014080.db2.gz KDFFKBZMLAXQRL-DLBZAZTESA-N 0 1 344.455 2.624 50 0 EFAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1COc2ccccc2C1 ZINC000091625690 218034011 /nfs/dbraw/zinc/03/40/11/218034011.db2.gz COZXTBRBMFEQCA-HNNXBMFYSA-N 0 1 339.439 2.888 50 0 EFAAMN CCc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)o1 ZINC000091526581 218017639 /nfs/dbraw/zinc/01/76/39/218017639.db2.gz HAELYCLMBDHOOF-JKSUJKDBSA-N 0 1 343.379 2.871 50 0 EFAAMN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2C(=O)CC(F)(F)F)C1 ZINC000091535090 218018933 /nfs/dbraw/zinc/01/89/33/218018933.db2.gz QLENLIYQYXZGSD-QWHCGFSZSA-N 0 1 345.365 2.667 50 0 EFAAMN CCN(CCn1cccn1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000091563552 218022343 /nfs/dbraw/zinc/02/23/43/218022343.db2.gz DDFIPESXQXQNSU-UHFFFAOYSA-N 0 1 327.363 2.575 50 0 EFAAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000091587410 218027069 /nfs/dbraw/zinc/02/70/69/218027069.db2.gz XBXHYSKRJDNFEV-AWEZNQCLSA-N 0 1 327.428 2.917 50 0 EFAAMN O=C(c1cc(-c2ccccc2O)[nH]n1)N(Cc1cccnc1)C1CC1 ZINC000091604394 218031501 /nfs/dbraw/zinc/03/15/01/218031501.db2.gz YUWPWLICXPHLPH-UHFFFAOYSA-N 0 1 334.379 2.982 50 0 EFAAMN CN(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000091626402 218035447 /nfs/dbraw/zinc/03/54/47/218035447.db2.gz CSPXPAKEJXFFDW-ZWKOTPCHSA-N 0 1 344.455 2.578 50 0 EFAAMN COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1O ZINC000091644522 218037654 /nfs/dbraw/zinc/03/76/54/218037654.db2.gz AWPUQXBNKFPOFL-JKSUJKDBSA-N 0 1 327.380 2.701 50 0 EFAAMN C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2cnc[nH]2)C1 ZINC000091651000 218040251 /nfs/dbraw/zinc/04/02/51/218040251.db2.gz NDHPKJRMNKWYOJ-LJQANCHMSA-N 0 1 341.411 2.552 50 0 EFAAMN CCSCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000091651552 218040659 /nfs/dbraw/zinc/04/06/59/218040659.db2.gz TZLQWSKXSPJDGD-DOTOQJQBSA-N 0 1 333.501 2.648 50 0 EFAAMN O=C([O-])[C@@]1(CC2CC2)CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000091656598 218040968 /nfs/dbraw/zinc/04/09/68/218040968.db2.gz NECSRMQOSHSLBE-LJQANCHMSA-N 0 1 331.412 2.925 50 0 EFAAMN Cc1ccccc1[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1C(=O)[O-] ZINC000091745452 218056861 /nfs/dbraw/zinc/05/68/61/218056861.db2.gz UECFIKIRPHMGEX-LSDHHAIUSA-N 0 1 329.400 2.802 50 0 EFAAMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1C(=O)[O-] ZINC000091745452 218056863 /nfs/dbraw/zinc/05/68/63/218056863.db2.gz UECFIKIRPHMGEX-LSDHHAIUSA-N 0 1 329.400 2.802 50 0 EFAAMN COc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Cl)c1OC ZINC000091769570 218062587 /nfs/dbraw/zinc/06/25/87/218062587.db2.gz NUDSLYWWPXYWEB-QWHCGFSZSA-N 0 1 339.819 2.900 50 0 EFAAMN COCCC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000091780523 218065417 /nfs/dbraw/zinc/06/54/17/218065417.db2.gz KTNLNCJUQJMPHU-GOSISDBHSA-N 0 1 339.407 2.928 50 0 EFAAMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@H]1c1cccnc1 ZINC000091914812 218088164 /nfs/dbraw/zinc/08/81/64/218088164.db2.gz MFVAKAMALRGYFD-ZWKOTPCHSA-N 0 1 333.391 2.930 50 0 EFAAMN COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2C(=O)[O-])c1OC ZINC000091907049 218087451 /nfs/dbraw/zinc/08/74/51/218087451.db2.gz XAXHGTLPCBKVRV-JKSUJKDBSA-N 0 1 345.395 2.905 50 0 EFAAMN CC(C)Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)n(C)n1 ZINC000091914659 218087745 /nfs/dbraw/zinc/08/77/45/218087745.db2.gz NIJWRWJVEUCVOZ-UHFFFAOYSA-N 0 1 332.492 2.709 50 0 EFAAMN Cc1cc(N2CCC(n3cnnc3)CC2)nc(-c2ccccc2O)n1 ZINC000091966340 218097481 /nfs/dbraw/zinc/09/74/81/218097481.db2.gz QJKMWDCBKZBHIH-UHFFFAOYSA-N 0 1 336.399 2.591 50 0 EFAAMN CCn1nc(C)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C ZINC000091965931 218095902 /nfs/dbraw/zinc/09/59/02/218095902.db2.gz KXTVHDJSLSDTCB-ZWKOTPCHSA-N 0 1 327.428 2.820 50 0 EFAAMN CC1=C(c2ccccc2)[C@@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000092077616 218115837 /nfs/dbraw/zinc/11/58/37/218115837.db2.gz PPCIQLHGIRARCA-HXUWFJFHSA-N 0 1 340.467 2.661 50 0 EFAAMN COCCC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000092078840 218116764 /nfs/dbraw/zinc/11/67/64/218116764.db2.gz LOGHPIJYBVOQIL-IBGZPJMESA-N 0 1 333.428 2.983 50 0 EFAAMN CCCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000092098289 218118334 /nfs/dbraw/zinc/11/83/34/218118334.db2.gz CKPUDUGYODJKHF-CQSZACIVSA-N 0 1 343.427 2.974 50 0 EFAAMN COc1ccccc1OCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000010018743 211140877 /nfs/dbraw/zinc/14/08/77/211140877.db2.gz BADWRWXJQAXCDW-MRXNPFEDSA-N 0 1 346.402 2.632 50 0 EFAAMN COc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000010018746 211141040 /nfs/dbraw/zinc/14/10/40/211141040.db2.gz IIRCMDSWLCOMCK-SFHVURJKSA-N 0 1 346.402 2.632 50 0 EFAAMN COc1ccc(-n2[nH]c(-c3ccc(OC)c(OC)c3)cc2=O)cc1 ZINC000009939690 211135222 /nfs/dbraw/zinc/13/52/22/211135222.db2.gz RGWBWVCNTNCSAT-UHFFFAOYSA-N 0 1 326.352 2.858 50 0 EFAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000009828276 211125985 /nfs/dbraw/zinc/12/59/85/211125985.db2.gz IVJHODMDKYQKSE-UHFFFAOYSA-N 0 1 346.408 2.689 50 0 EFAAMN C[N@@H+](Cc1ccc2nsnc2c1)[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095352395 218285498 /nfs/dbraw/zinc/28/54/98/218285498.db2.gz YLJDEAVRXXAUQP-OAHLLOKOSA-N 0 1 329.381 2.655 50 0 EFAAMN C[N@@H+](Cc1ccc2nsnc2c1)[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095352394 218285537 /nfs/dbraw/zinc/28/55/37/218285537.db2.gz YLJDEAVRXXAUQP-HNNXBMFYSA-N 0 1 329.381 2.655 50 0 EFAAMN COc1ccccc1C[N@H+]1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095358551 218291819 /nfs/dbraw/zinc/29/18/19/218291819.db2.gz IPVNGSOWTPGOSY-OXQOHEQNSA-N 0 1 339.391 2.758 50 0 EFAAMN O=C(C1CCN(Cc2ccco2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000095365803 218298075 /nfs/dbraw/zinc/29/80/75/218298075.db2.gz MAJJYEJJDLOMQJ-QZTJIDSGSA-N 0 1 332.444 2.662 50 0 EFAAMN CSc1nnc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)s1 ZINC000008996162 211029637 /nfs/dbraw/zinc/02/96/37/211029637.db2.gz UBUMSVFRNODSOF-UHFFFAOYSA-N 0 1 333.398 2.608 50 0 EFAAMN CC(C)CCC[C@H](C)NC(=O)CNc1nc(Cl)nc2[nH]cnc21 ZINC000008990139 211028563 /nfs/dbraw/zinc/02/85/63/211028563.db2.gz HNYCLKMDRAKILF-JTQLQIEISA-N 0 1 338.843 2.749 50 0 EFAAMN O=C([O-])c1ccc([C@@H]2CCC[N@@H+](CCC(=O)N3CCCC3)C2)cc1 ZINC000095370015 218302796 /nfs/dbraw/zinc/30/27/96/218302796.db2.gz OMOFSNVCIDOKBI-QGZVFWFLSA-N 0 1 330.428 2.577 50 0 EFAAMN CC(C)CCC[C@@H](C)NC(=O)CNc1nc(Cl)nc2[nH]cnc21 ZINC000008990138 211028162 /nfs/dbraw/zinc/02/81/62/211028162.db2.gz HNYCLKMDRAKILF-SNVBAGLBSA-N 0 1 338.843 2.749 50 0 EFAAMN Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])[N@H+]1CC=C(c2ccccc2)CC1 ZINC000095382359 218314366 /nfs/dbraw/zinc/31/43/66/218314366.db2.gz PIYSDHDRPOTKPD-SFHVURJKSA-N 0 1 325.412 2.952 50 0 EFAAMN Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000095382359 218314369 /nfs/dbraw/zinc/31/43/69/218314369.db2.gz PIYSDHDRPOTKPD-SFHVURJKSA-N 0 1 325.412 2.952 50 0 EFAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C)c1 ZINC000008845536 211010721 /nfs/dbraw/zinc/01/07/21/211010721.db2.gz XTDJNRXWCUMMTK-SFHVURJKSA-N 0 1 335.363 2.966 50 0 EFAAMN CSc1ccccc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000096152168 218628734 /nfs/dbraw/zinc/62/87/34/218628734.db2.gz ZKKDDOYEDLFIAT-UHFFFAOYSA-N 0 1 335.473 2.737 50 0 EFAAMN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCC[C@@H]1C ZINC000004897969 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/nfs/dbraw/zinc/88/90/64/471889064.db2.gz NMVPYJZWUBFYER-QGZVFWFLSA-N 0 1 332.419 2.618 50 0 EFAAMN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000015721770 471915084 /nfs/dbraw/zinc/91/50/84/471915084.db2.gz KKZLZHSHGZBECG-UHFFFAOYSA-N 0 1 345.374 2.631 50 0 EFAAMN Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCC2)o1 ZINC000015860229 471920062 /nfs/dbraw/zinc/92/00/62/471920062.db2.gz QPZNBTLOBBIZIE-QGZVFWFLSA-N 0 1 328.412 2.920 50 0 EFAAMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(F)cc1 ZINC000015913394 471920900 /nfs/dbraw/zinc/92/09/00/471920900.db2.gz GRWLPTCQVGSXPP-UHFFFAOYSA-N 0 1 329.360 2.737 50 0 EFAAMN CN(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000016599356 471942497 /nfs/dbraw/zinc/94/24/97/471942497.db2.gz OEUZFAISSDFJLG-INIZCTEOSA-N 0 1 336.391 2.826 50 0 EFAAMN C[C@@H]1CN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000016624236 471944023 /nfs/dbraw/zinc/94/40/23/471944023.db2.gz FBOZRYQGULRQCH-UGNPJNSGSA-N 0 1 337.504 2.690 50 0 EFAAMN CCCC12CN3CC(CCC)(CN(C1)C31CCOC(C)(C)C1)C2O ZINC000019330143 471980124 /nfs/dbraw/zinc/98/01/24/471980124.db2.gz OGRKXJWOVJGOBB-UHFFFAOYSA-N 0 1 336.520 2.850 50 0 biogenic EFAAMN CC(C)c1[nH]nc2c1CN(c1nc(N(C)C)nc3c1CCCC3)CC2 ZINC000019607210 471981452 /nfs/dbraw/zinc/98/14/52/471981452.db2.gz ZEZUBEIEMROPOC-UHFFFAOYSA-N 0 1 340.475 2.831 50 0 EFAAMN CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3CC)C2=O)cc1 ZINC000033293646 471981596 /nfs/dbraw/zinc/98/15/96/471981596.db2.gz DEYMRGFPFBMRFM-RHSMWYFYSA-N 0 1 330.428 2.982 50 0 EFAAMN Cc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000019862682 471986064 /nfs/dbraw/zinc/98/60/64/471986064.db2.gz UODDXFJPSXJTEP-FQEVSTJZSA-N 0 1 340.467 2.865 50 0 EFAAMN COc1ccc([C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020218816 471987916 /nfs/dbraw/zinc/98/79/16/471987916.db2.gz WAXFAAZJWFAEEV-IBGZPJMESA-N 0 1 330.403 2.690 50 0 EFAAMN CC(C)OC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000020389116 471989080 /nfs/dbraw/zinc/98/90/80/471989080.db2.gz 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/nfs/dbraw/zinc/25/03/20/472250320.db2.gz LMMHSXRTAPHHRV-UHFFFAOYSA-N 0 1 333.461 2.704 50 0 EFAAMN COc1ccc2[nH]cc(CCNC(=O)c3[nH]nc4c3CCCC4)c2c1 ZINC000085879196 472270167 /nfs/dbraw/zinc/27/01/67/472270167.db2.gz ZUZRYWABIBHGIK-UHFFFAOYSA-N 0 1 338.411 2.751 50 0 biogenic EFAAMN COc1ccc(NCc2nn(CCCc3ccccc3)c(=O)[nH]2)cc1 ZINC000044891053 472348751 /nfs/dbraw/zinc/34/87/51/472348751.db2.gz RYKZYESIWXABKQ-UHFFFAOYSA-N 0 1 338.411 2.825 50 0 EFAAMN O=S(=O)(Cc1ccccc1)N1CCN(C2CCCCCC2)CC1 ZINC000057242955 472404529 /nfs/dbraw/zinc/40/45/29/472404529.db2.gz ZXKVCAPFILJRAW-UHFFFAOYSA-N 0 1 336.501 2.857 50 0 EFAAMN C[C@H]1CCCN(c2nc3nn[nH]c3c(Nc3ccc(F)cc3)n2)C1 ZINC000070655785 472501751 /nfs/dbraw/zinc/50/17/51/472501751.db2.gz GFPIZAUGCLUXMR-JTQLQIEISA-N 0 1 327.367 2.867 50 0 EFAAMN CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H](N)c1ccccc1 ZINC000077353945 472510337 /nfs/dbraw/zinc/51/03/37/472510337.db2.gz PPBQKGOTCZOROY-GOSISDBHSA-N 0 1 338.386 2.670 50 0 EFAAMN CC[C@@H]1CN(C(=O)c2ccc(SCCO)cc2)CCN1C(C)C ZINC000077355485 472511359 /nfs/dbraw/zinc/51/13/59/472511359.db2.gz PQYUNHMSIHYKSH-MRXNPFEDSA-N 0 1 336.501 2.716 50 0 EFAAMN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)Cn1cnc2ccccc21 ZINC000077376597 472515581 /nfs/dbraw/zinc/51/55/81/472515581.db2.gz SHOHHWDYXXXVEA-SFHVURJKSA-N 0 1 348.450 2.551 50 0 EFAAMN CCOC(=O)C[C@@H]1CCCCN1Cc1[nH]nc2ccc(OC)cc21 ZINC000077379876 472516916 /nfs/dbraw/zinc/51/69/16/472516916.db2.gz ZZFNHFASLYZFAO-ZDUSSCGKSA-N 0 1 331.416 2.879 50 0 EFAAMN CCOC(=O)C[C@@H]1CCCCN1Cc1n[nH]c2ccc(OC)cc21 ZINC000077379876 472516924 /nfs/dbraw/zinc/51/69/24/472516924.db2.gz ZZFNHFASLYZFAO-ZDUSSCGKSA-N 0 1 331.416 2.879 50 0 EFAAMN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc2c(c1)CCO2 ZINC000077385916 472518152 /nfs/dbraw/zinc/51/81/52/472518152.db2.gz RAOXHMOKESYHNF-IBGZPJMESA-N 0 1 336.435 2.750 50 0 EFAAMN O=C(c1ccc2nonc2c1)N1CCCN(Cc2cccs2)CC1 ZINC000077407022 472522374 /nfs/dbraw/zinc/52/23/74/472522374.db2.gz NXVPFIAVYYZMMX-UHFFFAOYSA-N 0 1 342.424 2.632 50 0 EFAAMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000058251508 472526698 /nfs/dbraw/zinc/52/66/98/472526698.db2.gz RRWBZMNDJCFYKC-AWEZNQCLSA-N 0 1 344.434 2.775 50 0 EFAAMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000058251512 472526782 /nfs/dbraw/zinc/52/67/82/472526782.db2.gz RRWBZMNDJCFYKC-CQSZACIVSA-N 0 1 344.434 2.775 50 0 EFAAMN Cc1cc(C(=O)NCCSc2cn[nH]n2)c2ccc(C)c(C)c2n1 ZINC000077439848 472527069 /nfs/dbraw/zinc/52/70/69/472527069.db2.gz SIVYMOWMXAKPEB-UHFFFAOYSA-N 0 1 341.440 2.800 50 0 EFAAMN CCN1C[C@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)[C@@H](OC)C1 ZINC000077503299 472541237 /nfs/dbraw/zinc/54/12/37/472541237.db2.gz MCQBOSJPASNQNZ-ROUUACIJSA-N 0 1 341.455 2.609 50 0 EFAAMN Cc1ncc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)s1 ZINC000071278835 472545971 /nfs/dbraw/zinc/54/59/71/472545971.db2.gz DCQUHFLFCAAVST-LSDHHAIUSA-N 0 1 332.425 2.531 50 0 EFAAMN c1ncn(C2CCCC2)c1CN1CCCC[C@H]1CN1CCOCC1 ZINC000077520434 472546445 /nfs/dbraw/zinc/54/64/45/472546445.db2.gz SRUYTCWVQYGBTB-SFHVURJKSA-N 0 1 332.492 2.685 50 0 EFAAMN Cc1n[nH]c(CCC(=O)N2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000077520009 472546512 /nfs/dbraw/zinc/54/65/12/472546512.db2.gz HNZBVEOCHYSFTE-UHFFFAOYSA-N 0 1 348.834 2.769 50 0 EFAAMN COc1cccc(C[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000071415719 472550838 /nfs/dbraw/zinc/55/08/38/472550838.db2.gz NFCWDSLJCIYSFY-FQEVSTJZSA-N 0 1 340.423 3.000 50 0 EFAAMN Cc1ccc2nc(CN3CCC(N4CCCC4=O)CC3)[nH]c2c1C ZINC000071735723 472556075 /nfs/dbraw/zinc/55/60/75/472556075.db2.gz TVCUWTQAVHJJSC-UHFFFAOYSA-N 0 1 326.444 2.767 50 0 EFAAMN Cc1nc2cc(-c3nn4c(nnc4[C@H]4CCCO4)s3)ccc2[nH]1 ZINC000071746569 472557783 /nfs/dbraw/zinc/55/77/83/472557783.db2.gz YOQAALBLZCPXDW-GFCCVEGCSA-N 0 1 326.385 2.889 50 0 EFAAMN CCN(C)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747191 472558545 /nfs/dbraw/zinc/55/85/45/472558545.db2.gz NKFRYUPBSRYGKF-LJQANCHMSA-N 0 1 342.439 2.700 50 0 EFAAMN Cc1cccn2c(CN3CCCC3)c(C(=O)N3CCCCC3)nc12 ZINC000071764543 472563251 /nfs/dbraw/zinc/56/32/51/472563251.db2.gz LIAWOKNTHAQVCC-UHFFFAOYSA-N 0 1 326.444 2.865 50 0 EFAAMN O=C([O-])[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]21 ZINC000072186823 472633661 /nfs/dbraw/zinc/63/36/61/472633661.db2.gz AADVZSXPNRLYLV-PWUYNPNPSA-N 0 1 340.423 2.559 50 0 EFAAMN O=C([O-])[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]21 ZINC000072186823 472633664 /nfs/dbraw/zinc/63/36/64/472633664.db2.gz AADVZSXPNRLYLV-PWUYNPNPSA-N 0 1 340.423 2.559 50 0 EFAAMN Cc1nonc1C(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072435258 472664798 /nfs/dbraw/zinc/66/47/98/472664798.db2.gz DXASFLWYDUQXCY-ZDUSSCGKSA-N 0 1 329.335 2.761 50 0 EFAAMN COc1cccc(-c2cc(C(=O)N3CC(c4ccccn4)C3)n[nH]2)c1 ZINC000091320957 472757655 /nfs/dbraw/zinc/75/76/55/472757655.db2.gz NYIRXMJFDJAGFX-UHFFFAOYSA-N 0 1 334.379 2.720 50 0 EFAAMN Cc1nc(N)nc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C ZINC000091575483 472777316 /nfs/dbraw/zinc/77/73/16/472777316.db2.gz OCZUTJJRRXAFST-LBPRGKRZSA-N 0 1 331.807 2.546 50 0 EFAAMN O=C([O-])[C@]1(CC2CC2)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000091644211 472789312 /nfs/dbraw/zinc/78/93/12/472789312.db2.gz XUFGQEDFSHQUIM-IBGZPJMESA-N 0 1 333.428 2.525 50 0 EFAAMN COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccon3)n[nH]2)cc1 ZINC000091644311 472789390 /nfs/dbraw/zinc/78/93/90/472789390.db2.gz UZTOJOGLKAYMGM-NSHDSACASA-N 0 1 326.356 2.907 50 0 EFAAMN CC(C)c1cc(NCc2ccc(N3CCCC3=O)cc2)nc(N)n1 ZINC000091781815 472807164 /nfs/dbraw/zinc/80/71/64/472807164.db2.gz GVXCDAICKVAREA-UHFFFAOYSA-N 0 1 325.416 2.921 50 0 EFAAMN O=C(Cc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000091829933 472814343 /nfs/dbraw/zinc/81/43/43/472814343.db2.gz RBZJYPJNYYQJSR-VQTJNVASSA-N 0 1 335.451 2.747 50 0 EFAAMN Cc1nsc(NC(=O)N2CCCN(Cc3cccs3)CC2)n1 ZINC000063856527 472821919 /nfs/dbraw/zinc/82/19/19/472821919.db2.gz RNMKIGOVJSAXOY-UHFFFAOYSA-N 0 1 337.474 2.648 50 0 EFAAMN O=C(Cc1nc(-c2ccccc2)n[nH]1)NCc1cccc(Cl)c1 ZINC000065232554 472911072 /nfs/dbraw/zinc/91/10/72/472911072.db2.gz YBLHJVMLMZQASC-UHFFFAOYSA-N 0 1 326.787 2.984 50 0 EFAAMN O=C(Cc1n[nH]c(-c2ccccc2)n1)NCc1cccc(Cl)c1 ZINC000065232554 472911076 /nfs/dbraw/zinc/91/10/76/472911076.db2.gz YBLHJVMLMZQASC-UHFFFAOYSA-N 0 1 326.787 2.984 50 0 EFAAMN CCCc1cc(N2CCN(CC=C(C)C)[C@@H](CCO)C2)nc(C)n1 ZINC000106999951 472921022 /nfs/dbraw/zinc/92/10/22/472921022.db2.gz LMMZWESWHUDUQA-SFHVURJKSA-N 0 1 332.492 2.577 50 0 EFAAMN COc1nc(C)cc(C)c1CNC(=O)CCc1n[nH]c2c1CCCC2 ZINC000065382386 472930160 /nfs/dbraw/zinc/93/01/60/472930160.db2.gz HDYSCZLPNMPXDG-UHFFFAOYSA-N 0 1 342.443 2.558 50 0 EFAAMN C[C@H]1CCCN(C(=O)CCNCc2nn(C)c3cccc(Cl)c23)C1 ZINC000065398245 472934040 /nfs/dbraw/zinc/93/40/40/472934040.db2.gz GCQKEWCSYDPKKH-ZDUSSCGKSA-N 0 1 348.878 2.965 50 0 EFAAMN CCc1cc(N[C@@H](CC)c2ccccn2)nc(N2CCOCC2)n1 ZINC000065408131 472937044 /nfs/dbraw/zinc/93/70/44/472937044.db2.gz IXYLDHXFQWTPQO-HNNXBMFYSA-N 0 1 327.432 2.834 50 0 EFAAMN O=C(CN1CCCC1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065435644 472942276 /nfs/dbraw/zinc/94/22/76/472942276.db2.gz JKEUFZCHFOONDJ-VQTJNVASSA-N 0 1 338.451 2.612 50 0 EFAAMN Cc1cc(C)n(CC2(CNCc3nc(-c4ccco4)no3)CC2)n1 ZINC000065458076 472945552 /nfs/dbraw/zinc/94/55/52/472945552.db2.gz YOMQUKVGHNGDHI-UHFFFAOYSA-N 0 1 327.388 2.713 50 0 EFAAMN COc1cc(CNCC(=O)Nc2cccc(F)c2C)cc(OC)c1 ZINC000065460426 472947437 /nfs/dbraw/zinc/94/74/37/472947437.db2.gz VNWWDTMVDBZJOX-UHFFFAOYSA-N 0 1 332.375 2.880 50 0 EFAAMN COc1ccc([C@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000049420915 472948344 /nfs/dbraw/zinc/94/83/44/472948344.db2.gz DUOGBAXGVKSLSI-HXUWFJFHSA-N 0 1 326.440 2.859 50 0 biogenic EFAAMN COc1cccc([C@H](O)CN2CCN(c3ccc(C)cc3)CC2)c1 ZINC000049420913 472948748 /nfs/dbraw/zinc/94/87/48/472948748.db2.gz MNVQQDLHFZCDQL-HXUWFJFHSA-N 0 1 326.440 2.859 50 0 biogenic EFAAMN O=C1C[C@@H](c2ccccc2)CN1Cc1nc(Cc2ccccc2)n[nH]1 ZINC000065494023 472956236 /nfs/dbraw/zinc/95/62/36/472956236.db2.gz OTAFXQOSCYEPQA-QGZVFWFLSA-N 0 1 332.407 2.912 50 0 EFAAMN O=C1C[C@@H](c2ccccc2)CN1Cc1n[nH]c(Cc2ccccc2)n1 ZINC000065494023 472956242 /nfs/dbraw/zinc/95/62/42/472956242.db2.gz OTAFXQOSCYEPQA-QGZVFWFLSA-N 0 1 332.407 2.912 50 0 EFAAMN O=C(C[C@H]1CCCOC1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000192788558 473726137 /nfs/dbraw/zinc/72/61/37/473726137.db2.gz DAIBXVRCUAPWGX-MRXNPFEDSA-N 0 1 334.435 2.723 50 0 EFAAMN O=C([O-])[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000247338215 474123837 /nfs/dbraw/zinc/12/38/37/474123837.db2.gz AADVZSXPNRLYLV-UVPACWLJSA-N 0 1 340.423 2.559 50 0 EFAAMN O=C([O-])[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000247338215 474123843 /nfs/dbraw/zinc/12/38/43/474123843.db2.gz AADVZSXPNRLYLV-UVPACWLJSA-N 0 1 340.423 2.559 50 0 EFAAMN COc1ccc2c(c1)[C@H](NC(=O)c1[nH]nc3c1CCC3)CC(C)(C)O2 ZINC000216489700 474140554 /nfs/dbraw/zinc/14/05/54/474140554.db2.gz IPTWXPGQTUGMFC-OAHLLOKOSA-N 0 1 341.411 2.939 50 0 EFAAMN CCc1nnc(CN(C)C(=O)[C@@H]2CCCCN2Cc2ccccc2)o1 ZINC000220498932 474156319 /nfs/dbraw/zinc/15/63/19/474156319.db2.gz FSFHJSPGFUABPD-INIZCTEOSA-N 0 1 342.443 2.645 50 0 EFAAMN CCOc1ncccc1C(=O)N(C)Cc1ccc2c(c1)CN(C)C2 ZINC000221184959 474160081 /nfs/dbraw/zinc/16/00/81/474160081.db2.gz NLNONYCHOJJTNV-UHFFFAOYSA-N 0 1 325.412 2.698 50 0 EFAAMN Cc1cc(CNC(=O)c2ccccc2OC(F)(F)C(F)F)n[nH]1 ZINC000222494803 474171186 /nfs/dbraw/zinc/17/11/86/474171186.db2.gz BTVZJLOGEGPGRU-UHFFFAOYSA-N 0 1 331.269 2.885 50 0 EFAAMN Cc1nc2cccc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)c2[nH]1 ZINC000222761415 474173951 /nfs/dbraw/zinc/17/39/51/474173951.db2.gz FOHXRPBRSMSWJT-IIYDPXPESA-N 0 1 336.395 2.508 50 0 EFAAMN Nc1nc(NCc2ccccc2C(F)(F)F)cc(C2CC(O)C2)n1 ZINC000223104343 474178083 /nfs/dbraw/zinc/17/80/83/474178083.db2.gz SYAYEZSOLYFHAJ-UHFFFAOYSA-N 0 1 338.333 2.928 50 0 EFAAMN Cc1n[nH]cc1CN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000223085474 474178796 /nfs/dbraw/zinc/17/87/96/474178796.db2.gz KIUHGAVYEKCFDU-GOSISDBHSA-N 0 1 326.444 2.731 50 0 EFAAMN CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220758 474251349 /nfs/dbraw/zinc/25/13/49/474251349.db2.gz GIGUIJVYXSNDDO-AEFFLSMTSA-N 0 1 326.444 2.855 50 0 EFAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC(Oc2cccnc2)C1 ZINC000238832769 474541407 /nfs/dbraw/zinc/54/14/07/474541407.db2.gz GHSITNVSEPAPOQ-UHFFFAOYSA-N 0 1 338.342 2.514 50 0 EFAAMN O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1n[nH]c2ccccc21 ZINC000244866465 474568527 /nfs/dbraw/zinc/56/85/27/474568527.db2.gz VWQYHLPTWODEKB-JRPNMDOOSA-N 0 1 327.409 2.866 50 0 EFAAMN Cc1ccccc1[C@@]1(O)CCN(Cc2nc(-c3cccnc3)no2)C1 ZINC000252483580 474670218 /nfs/dbraw/zinc/67/02/18/474670218.db2.gz FFLZWMIBRPKOOQ-LJQANCHMSA-N 0 1 336.395 2.534 50 0 EFAAMN Cc1n[nH]c(C)c1CCCN(C)CC(=O)Nc1cc(C)ccc1F ZINC000252485191 474671622 /nfs/dbraw/zinc/67/16/22/474671622.db2.gz GOWOWBJSJBWCNN-UHFFFAOYSA-N 0 1 332.423 2.977 50 0 EFAAMN COc1ccccc1CNC(=O)CCN1CCC[C@H]1c1nccs1 ZINC000252487704 474673177 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