smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CNCCN1CCOCC1 ZINC000035311528 204165572 /nfs/dbraw/zinc/16/55/72/204165572.db2.gz JZJFMVBYLZYOBE-MRXNPFEDSA-N 0 3 375.513 2.236 40 0 GEABHN COc1ccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012292122 204389395 /nfs/dbraw/zinc/38/93/95/204389395.db2.gz MTCPSSKVKPTLDB-IBGZPJMESA-N 0 3 385.460 2.483 40 0 GEABHN Cc1cccc(CC(=O)N2CC[C@H](c3nn(CCN(C)C)c4nccnc34)C2)c1 ZINC000072391692 205341215 /nfs/dbraw/zinc/34/12/15/205341215.db2.gz LGBOUEPGOUDGGT-SFHVURJKSA-N 0 3 392.507 2.255 40 0 GEABHN CN1CC[C@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391598 205342061 /nfs/dbraw/zinc/34/20/61/205342061.db2.gz WWPKBTCRTJORPD-HNNXBMFYSA-N 0 3 397.454 2.185 40 0 GEABHN COc1ccc2c(c1)c([C@H]1CN(Cc3cnn(C)c3C)C[C@@H]1NC(C)=O)cn2C ZINC000072395731 205344279 /nfs/dbraw/zinc/34/42/79/205344279.db2.gz VPXRGAYWVHDQAT-RTWAWAEBSA-N 0 3 395.507 2.333 40 0 GEABHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000225677437 206065217 /nfs/dbraw/zinc/06/52/17/206065217.db2.gz HWRVVPHPKKKTEL-UHFFFAOYSA-N 0 3 383.539 2.000 40 0 GEABHN NC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)CN2CCCC2)CC1 ZINC000257208597 206160045 /nfs/dbraw/zinc/16/00/45/206160045.db2.gz BMUPCTALRWMKEE-UHFFFAOYSA-N 0 3 393.915 2.299 40 0 GEABHN Cn1c(=O)c2ccc([C@H]3CCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000257215736 206160998 /nfs/dbraw/zinc/16/09/98/206160998.db2.gz CRKUPYLRNRKARH-INIZCTEOSA-N 0 3 389.459 2.103 40 0 GEABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)CN1CCCCCC1 ZINC000257275230 206171801 /nfs/dbraw/zinc/17/18/01/206171801.db2.gz NOLFZYXRHODUEN-QGZVFWFLSA-N 0 3 398.511 2.019 40 0 GEABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257297735 206174645 /nfs/dbraw/zinc/17/46/45/206174645.db2.gz RIQIHUUQZXEIKI-HXUWFJFHSA-N 0 3 394.519 2.337 40 0 GEABHN COCCN1CCC(c2cc(N3CC4(CCOCC4)OC3=O)nc(C)n2)CC1 ZINC000257240516 206164279 /nfs/dbraw/zinc/16/42/79/206164279.db2.gz HTVOVFZBQFTPFR-UHFFFAOYSA-N 0 3 390.484 2.117 40 0 GEABHN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257344435 206183095 /nfs/dbraw/zinc/18/30/95/206183095.db2.gz ZXENYYWEUROPKI-SFHVURJKSA-N 0 3 384.471 2.044 40 0 GEABHN COCCN1C(=O)C[C@@H](C(=O)N(C)CC2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000257344049 206183487 /nfs/dbraw/zinc/18/34/87/206183487.db2.gz ZVNWBBBUBPEQOB-CTNGQTDRSA-N 0 3 387.524 2.023 40 0 GEABHN COc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)c1 ZINC000306139791 206204643 /nfs/dbraw/zinc/20/46/43/206204643.db2.gz UATQZNQINDWLPA-UHFFFAOYSA-N 0 3 395.507 2.408 40 0 GEABHN CC(C)N1CCOC[C@@]2(CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3)O2)C1 ZINC000306140854 206205398 /nfs/dbraw/zinc/20/53/98/206205398.db2.gz VFJUCWKJXWNHFS-LRHIHOEBSA-N 0 3 394.537 2.235 40 0 GEABHN COCCN1CC[C@@]2(CN(Cc3ccncc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124324 206197509 /nfs/dbraw/zinc/19/75/09/206197509.db2.gz BMSLTEYOVUWYPU-KNQAVFIVSA-N 0 3 397.523 2.324 40 0 GEABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137531 206203936 /nfs/dbraw/zinc/20/39/36/206203936.db2.gz QZEVCHAYKHEUGY-KNQAVFIVSA-N 0 3 396.539 2.426 40 0 GEABHN CN(C)C[C@@H]1[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366215 517908741 /nfs/dbraw/zinc/90/87/41/517908741.db2.gz FFPATKGBQDEKQE-FGZHOGPDSA-N 0 3 394.515 2.490 40 0 GEABHN CN(C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)n1 ZINC000329007180 570211838 /nfs/dbraw/zinc/21/18/38/570211838.db2.gz LICOVQBHPOEYMR-UHFFFAOYSA-N 0 3 384.434 2.246 40 0 GEABHN CC(C)CN1CCC[C@@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000019743485 570213160 /nfs/dbraw/zinc/21/31/60/570213160.db2.gz SEPXGYRIFUWTMF-GFCCVEGCSA-N 0 3 398.429 2.486 40 0 GEABHN CCc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN3CC(=O)N(C)C)CC2)o1 ZINC000019746325 570213726 /nfs/dbraw/zinc/21/37/26/570213726.db2.gz OCZVIPPQKORHKW-KRWDZBQOSA-N 0 3 390.528 2.340 40 0 GEABHN COCCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 ZINC000096145159 570213764 /nfs/dbraw/zinc/21/37/64/570213764.db2.gz VRBRSSQUJYQEJG-UHFFFAOYSA-N 0 3 396.553 2.454 40 0 GEABHN CC(C)n1cnc2c1[C@@H](C(=O)NCCN1CCCC1)N(Cc1cccnc1)CC2 ZINC000096265054 570226830 /nfs/dbraw/zinc/22/68/30/570226830.db2.gz UMODJJZTJRUJOE-NRFANRHFSA-N 0 3 396.539 2.170 40 0 GEABHN CN(C)CCNC(=O)c1c2ccccn2c2ncnc(NCc3cccnc3)c12 ZINC000096264375 570226860 /nfs/dbraw/zinc/22/68/60/570226860.db2.gz QKVSHGOICMBJTN-UHFFFAOYSA-N 0 3 389.463 2.181 40 0 GEABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283519 570251680 /nfs/dbraw/zinc/25/16/80/570251680.db2.gz RNHBMOMLPLTHEN-NRFANRHFSA-N 0 3 392.496 2.058 40 0 GEABHN CN(Cc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585285783 570255368 /nfs/dbraw/zinc/25/53/68/570255368.db2.gz TXYJSOGHYKKXQA-FPOVZHCZSA-N 0 3 388.895 2.410 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCNCC3)nc2)cc1 ZINC000072216292 570317275 /nfs/dbraw/zinc/31/72/75/570317275.db2.gz HKSXMKTZEHHSPR-IBGZPJMESA-N 0 3 386.521 2.325 40 0 GEABHN CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000023110403 570344239 /nfs/dbraw/zinc/34/42/39/570344239.db2.gz PAHJBZIKQPXFFG-UHFFFAOYSA-N 0 3 393.553 2.004 40 0 GEABHN Cc1nccc(C[C@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382344 570353321 /nfs/dbraw/zinc/35/33/21/570353321.db2.gz OVBHAZDRFJSHBJ-PSBWJHGTSA-N 0 3 395.425 2.494 40 0 biogenic,in-vitro GEABHN c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CCN3CCC[C@H]3C2)cc1 ZINC000022931194 570379251 /nfs/dbraw/zinc/37/92/51/570379251.db2.gz XYYWYLNMDXRUDO-SFTDATJTSA-N 0 3 389.507 2.180 40 0 GEABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008297964 570527392 /nfs/dbraw/zinc/52/73/92/570527392.db2.gz NMYSQKCNGKXHEO-POAQFYNOSA-N 0 3 383.496 2.092 40 0 biogenic,in-vitro GEABHN NC[C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215849 570817044 /nfs/dbraw/zinc/81/70/44/570817044.db2.gz JIRVDPWRCFPHGZ-IKGGRYGDSA-N 0 3 396.306 2.326 40 0 GEABHN CN(CC(=O)N(C)C1CCCCC1)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1 ZINC000019760218 570899376 /nfs/dbraw/zinc/89/93/76/570899376.db2.gz DQSMDGTUGRYLDX-GOSISDBHSA-N 0 3 388.560 2.190 40 0 GEABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000017079284 570918249 /nfs/dbraw/zinc/91/82/49/570918249.db2.gz LGBUWWSAMVWYNL-UHFFFAOYSA-N 0 3 388.439 2.362 40 0 GEABHN O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585112606 570943228 /nfs/dbraw/zinc/94/32/28/570943228.db2.gz UEDWQVQHRJPLKH-QGZVFWFLSA-N 0 3 378.473 2.254 40 0 GEABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019022327 570955118 /nfs/dbraw/zinc/95/51/18/570955118.db2.gz PVTKGEXDASYZSI-QGZVFWFLSA-N 0 3 393.491 2.443 40 0 GEABHN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019119049 570957133 /nfs/dbraw/zinc/95/71/33/570957133.db2.gz BLXSFJVYLYXGIS-IUODEOHRSA-N 0 3 390.438 2.490 40 0 GEABHN Cn1nc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1C(F)(F)F ZINC000019288748 570971051 /nfs/dbraw/zinc/97/10/51/570971051.db2.gz RZDGKFOLPQOOJD-AWEZNQCLSA-N 0 3 394.401 2.242 40 0 GEABHN O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292330 570972660 /nfs/dbraw/zinc/97/26/60/570972660.db2.gz YHCWDEOUHVEJQS-WBVHZDCISA-N 0 3 384.480 2.052 40 0 GEABHN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292329 570972809 /nfs/dbraw/zinc/97/28/09/570972809.db2.gz YHCWDEOUHVEJQS-RDJZCZTQSA-N 0 3 384.480 2.052 40 0 GEABHN CCN1CCC[C@H]1CN(Cc1cnc(N2CCOCC2)nc1)Cc1ccccn1 ZINC000019527176 570997671 /nfs/dbraw/zinc/99/76/71/570997671.db2.gz GACUGYVRFJZYCN-NRFANRHFSA-N 0 3 396.539 2.195 40 0 GEABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552194 571001413 /nfs/dbraw/zinc/00/14/13/571001413.db2.gz OTWTZFHASQFAKE-OAHLLOKOSA-N 0 3 384.480 2.377 40 0 GEABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552194 571001417 /nfs/dbraw/zinc/00/14/17/571001417.db2.gz OTWTZFHASQFAKE-OAHLLOKOSA-N 0 3 384.480 2.377 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556800 571003374 /nfs/dbraw/zinc/00/33/74/571003374.db2.gz YISQSVLGGWUPLE-BFUOFWGJSA-N 0 3 382.512 2.244 40 0 GEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572704 571010467 /nfs/dbraw/zinc/01/04/67/571010467.db2.gz RCOGPZSIJOSUMX-IAGOWNOFSA-N 0 3 382.512 2.245 40 0 GEABHN Cc1noc(C)c1CCC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019580772 571012984 /nfs/dbraw/zinc/01/29/84/571012984.db2.gz WSYAAIORJMKVOK-UHFFFAOYSA-N 0 3 383.496 2.408 40 0 GEABHN Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019580671 571013156 /nfs/dbraw/zinc/01/31/56/571013156.db2.gz RQTIXRIJUWDTTD-INIZCTEOSA-N 0 3 383.496 2.408 40 0 GEABHN COc1ccc(OCC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019588583 571016663 /nfs/dbraw/zinc/01/66/63/571016663.db2.gz WOWGIGNPUCOSEU-MRXNPFEDSA-N 0 3 396.491 2.258 40 0 GEABHN CN1CCc2nc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ncc2C1 ZINC000019590490 571018124 /nfs/dbraw/zinc/01/81/24/571018124.db2.gz RJTQWXMYSCBQDP-AWEZNQCLSA-N 0 3 390.484 2.172 40 0 GEABHN Cc1ccc(CC(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)cc1C ZINC000019708954 571033055 /nfs/dbraw/zinc/03/30/55/571033055.db2.gz KPLFZGLAJTYJLY-UHFFFAOYSA-N 0 3 381.524 2.332 40 0 GEABHN CC(C)(CN1CCCCC1)NC(=O)CN1C(=O)COc2c(Cl)cccc21 ZINC000019717445 571040068 /nfs/dbraw/zinc/04/00/68/571040068.db2.gz RZXGSJTUHIZRPF-UHFFFAOYSA-N 0 3 379.888 2.446 40 0 GEABHN CN(C)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O ZINC000012145904 204375852 /nfs/dbraw/zinc/37/58/52/204375852.db2.gz RMCTUPDKMWDXMT-UHFFFAOYSA-N 0 3 383.496 2.177 40 0 GEABHN CCc1nc(N2CCOCC2)ncc1C(=O)NC(C)(C)CN1CCC[C@H](C)C1 ZINC000012203261 204383033 /nfs/dbraw/zinc/38/30/33/204383033.db2.gz MLKAAXMRWRMEMG-INIZCTEOSA-N 0 3 389.544 2.116 40 0 GEABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000044901919 205089769 /nfs/dbraw/zinc/08/97/69/205089769.db2.gz FZRWHRXVIASCTC-IRXDYDNUSA-N 0 3 393.553 2.460 40 0 GEABHN O=C(OCc1ccc(Cl)nc1)[C@H]1CNCCN1Cc1ccc(Cl)nc1 ZINC000072203734 205319619 /nfs/dbraw/zinc/31/96/19/205319619.db2.gz GPKMQSCQHRENHF-CQSZACIVSA-N 0 3 381.263 2.301 40 0 GEABHN Cn1cc(CN2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1 ZINC000072359062 205333888 /nfs/dbraw/zinc/33/38/88/205333888.db2.gz AMYRIHFFGZTFJC-GOSISDBHSA-N 0 3 376.464 2.356 40 0 GEABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccnc4)C[C@H]32)c(OCC)n1 ZINC000072392645 205341137 /nfs/dbraw/zinc/34/11/37/205341137.db2.gz KFEFMQVHSWMHPG-YRISNDGFSA-N 0 3 384.480 2.399 40 0 GEABHN COc1ccccc1C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2cccnc21 ZINC000072391585 205341315 /nfs/dbraw/zinc/34/13/15/205341315.db2.gz SISYKDOCJJSJQF-OAHLLOKOSA-N 0 3 379.464 2.289 40 0 GEABHN O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096243591 205549079 /nfs/dbraw/zinc/54/90/79/205549079.db2.gz LRUOTCUPUQZUCU-LJQANCHMSA-N 0 3 398.482 2.439 40 0 GEABHN Cc1ccc(-c2nnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000004568723 205748945 /nfs/dbraw/zinc/74/89/45/205748945.db2.gz PTPSPNFIKKXLAE-UHFFFAOYSA-N 0 3 390.491 2.429 40 0 GEABHN O=C(c1cccc(=O)[nH]1)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257291448 206172566 /nfs/dbraw/zinc/17/25/66/206172566.db2.gz QGZVCUQVWQXKCB-JOCHJYFZSA-N 0 3 381.476 2.203 40 0 GEABHN Cc1[nH]c2ccc(C(=O)N3CCC[C@@](O)(CN4CCN(C)CC4)CC3)cc2c1C ZINC000257248136 206165608 /nfs/dbraw/zinc/16/56/08/206165608.db2.gz JCGHYMTUJIHOMZ-QHCPKHFHSA-N 0 3 398.551 2.389 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@H]1C2 ZINC000306139153 206205598 /nfs/dbraw/zinc/20/55/98/206205598.db2.gz SQTAHOABWUGVBE-CABCVRRESA-N 0 3 392.438 2.369 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccco4)C[C@@H]2C3)cc1 ZINC000306141740 206207795 /nfs/dbraw/zinc/20/77/95/206207795.db2.gz WEZCQFSZOAUIKT-LSDHHAIUSA-N 0 3 393.447 2.436 40 0 GEABHN c1cc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)ccn1 ZINC000306129788 206199170 /nfs/dbraw/zinc/19/91/70/206199170.db2.gz IMWPYWTZWBXSRV-SFHVURJKSA-N 0 3 378.480 2.341 40 0 GEABHN CC(C)CS(=O)(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2ccccc2)CC1 ZINC000096087785 570210263 /nfs/dbraw/zinc/21/02/63/570210263.db2.gz BCXLNWZAXVUBJY-UYAOXDASSA-N 0 3 393.553 2.397 40 0 GEABHN CCCN1CCc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719711 570210916 /nfs/dbraw/zinc/21/09/16/570210916.db2.gz HQDYGRXBNBUEOF-GOSISDBHSA-N 0 3 388.537 2.099 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN3CC(=O)N(C)C)CC2)o1 ZINC000019746363 570213983 /nfs/dbraw/zinc/21/39/83/570213983.db2.gz XWFHXZHDQOYGMP-QGZVFWFLSA-N 0 3 376.501 2.086 40 0 GEABHN CN(C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)n1 ZINC000329050847 570215198 /nfs/dbraw/zinc/21/51/98/570215198.db2.gz UVDBVSPWEAGRFY-UHFFFAOYSA-N 0 3 384.434 2.246 40 0 GEABHN COCCN1CC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019753097 570215935 /nfs/dbraw/zinc/21/59/35/570215935.db2.gz CEIFQWXGRXBZNP-QGZVFWFLSA-N 0 3 384.480 2.159 40 0 GEABHN Cc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585284360 570253392 /nfs/dbraw/zinc/25/33/92/570253392.db2.gz KKORCGCZSQCHSR-GMAHTHKFSA-N 0 3 382.504 2.042 40 0 GEABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585284576 570253802 /nfs/dbraw/zinc/25/38/02/570253802.db2.gz YKBGDQSRYMKIEM-ICSRJNTNSA-N 0 3 385.451 2.227 40 0 GEABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257305210 570488594 /nfs/dbraw/zinc/48/85/94/570488594.db2.gz SOXORSZTHRIKKN-LJQANCHMSA-N 0 3 381.513 2.216 40 0 GEABHN CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000012366363 570647209 /nfs/dbraw/zinc/64/72/09/570647209.db2.gz ZYRKWIWUOSUPQM-LEWJYISDSA-N 0 3 395.503 2.085 40 0 GEABHN CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(CCc1ccccc1)CC2 ZINC000585100570 570924863 /nfs/dbraw/zinc/92/48/63/570924863.db2.gz OAISTLKQPUOYKP-FQEVSTJZSA-N 0 3 378.538 2.121 40 0 GEABHN COc1ccc(CC[NH2+][C@@H](C)[C@H](O)c2ccc([N-]S(C)(=O)=O)c(O)c2)cc1 ZINC000084758832 570972658 /nfs/dbraw/zinc/97/26/58/570972658.db2.gz UOEHIRNDXGQHLQ-DJJJIMSYSA-N 0 3 394.493 2.027 40 0 in-man GEABHN O=C(Cc1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019345659 570977722 /nfs/dbraw/zinc/97/77/22/570977722.db2.gz ORDLCSJOTDTYTP-SFHVURJKSA-N 0 3 394.475 2.190 40 0 GEABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1CC1CC1 ZINC000019404201 570983387 /nfs/dbraw/zinc/98/33/87/570983387.db2.gz KGGISWQRLAXFAP-IBGZPJMESA-N 0 3 382.512 2.480 40 0 GEABHN C[C@H](C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@H+](C)C3)CC1)c1ccccc1 ZINC000019459104 570987920 /nfs/dbraw/zinc/98/79/20/570987920.db2.gz ZFPVXNXNPZLFQU-HNNXBMFYSA-N 0 3 380.492 2.268 40 0 GEABHN C[C@H](C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@@H+](C)C3)CC1)c1ccccc1 ZINC000019459104 570987926 /nfs/dbraw/zinc/98/79/26/570987926.db2.gz ZFPVXNXNPZLFQU-HNNXBMFYSA-N 0 3 380.492 2.268 40 0 GEABHN C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCNC5)C3)ccc2O1 ZINC000019497929 570990502 /nfs/dbraw/zinc/99/05/02/570990502.db2.gz FWOWRNZPEXRRCB-GDBMZVCRSA-N 0 3 378.476 2.466 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019551366 571000831 /nfs/dbraw/zinc/00/08/31/571000831.db2.gz FXAVBSFKQCYSBL-IBGZPJMESA-N 0 3 396.491 2.436 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556797 571003462 /nfs/dbraw/zinc/00/34/62/571003462.db2.gz YISQSVLGGWUPLE-ORAYPTAESA-N 0 3 382.512 2.244 40 0 GEABHN COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019557061 571003845 /nfs/dbraw/zinc/00/38/45/571003845.db2.gz DPQSLGGEPNBWCB-SFHVURJKSA-N 0 3 388.493 2.047 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)s1 ZINC000019560060 571004956 /nfs/dbraw/zinc/00/49/56/571004956.db2.gz PDWGJHVBBYLWDA-ZDUSSCGKSA-N 0 3 387.509 2.263 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)s1 ZINC000019560060 571004957 /nfs/dbraw/zinc/00/49/57/571004957.db2.gz PDWGJHVBBYLWDA-ZDUSSCGKSA-N 0 3 387.509 2.263 40 0 GEABHN CN(C)CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019581786 571013733 /nfs/dbraw/zinc/01/37/33/571013733.db2.gz VJQRWVJBWQMVQL-SFHVURJKSA-N 0 3 387.528 2.098 40 0 GEABHN CN(C)CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019581786 571013737 /nfs/dbraw/zinc/01/37/37/571013737.db2.gz VJQRWVJBWQMVQL-SFHVURJKSA-N 0 3 387.528 2.098 40 0 GEABHN COCc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019594361 571020328 /nfs/dbraw/zinc/02/03/28/571020328.db2.gz NQWPEUGNOIHXMX-UHFFFAOYSA-N 0 3 398.507 2.126 40 0 GEABHN COCc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019594361 571020330 /nfs/dbraw/zinc/02/03/30/571020330.db2.gz NQWPEUGNOIHXMX-UHFFFAOYSA-N 0 3 398.507 2.126 40 0 GEABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)COC(C)C)CC2)cc(C)n1 ZINC000019697982 571030602 /nfs/dbraw/zinc/03/06/02/571030602.db2.gz ZTMOMHIEFNBLDU-FQEVSTJZSA-N 0 3 388.512 2.147 40 0 GEABHN CCOCc1ccc(C(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)cc1 ZINC000019710979 571034810 /nfs/dbraw/zinc/03/48/10/571034810.db2.gz FAXVRMAKGLJYJT-SFHVURJKSA-N 0 3 383.496 2.280 40 0 GEABHN COc1ccc2c(CN3CCC(c4nnc5n4CCNC5)CC3)cn(C)c2c1 ZINC000019711174 571035124 /nfs/dbraw/zinc/03/51/24/571035124.db2.gz PHJUWMNPKRBCFV-UHFFFAOYSA-N 0 3 380.496 2.261 40 0 GEABHN CN1CCC2(CC1)CN(CC(=O)N1CCCCCC1)C(=O)c1ccccc1O2 ZINC000012142616 204374882 /nfs/dbraw/zinc/37/48/82/204374882.db2.gz JCIUODGKMRQRSP-UHFFFAOYSA-N 0 3 385.508 2.388 40 0 GEABHN Cn1c2ccc(S(=O)(=O)NC3(CN4CCCC4)CCCCC3)cc2oc1=O ZINC000012239264 204386414 /nfs/dbraw/zinc/38/64/14/204386414.db2.gz ODYRUYJCRZBOPB-UHFFFAOYSA-N 0 3 393.509 2.209 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556847 204653561 /nfs/dbraw/zinc/65/35/61/204653561.db2.gz ZFZHFZZIPHPEBH-YJYMSZOUSA-N 0 3 382.512 2.244 40 0 GEABHN O=C(OCc1ccc(Cl)nc1)[C@@H]1CNCCN1Cc1ccc(Cl)nc1 ZINC000072203735 205318373 /nfs/dbraw/zinc/31/83/73/205318373.db2.gz GPKMQSCQHRENHF-AWEZNQCLSA-N 0 3 381.263 2.301 40 0 GEABHN COc1cccc(C(=O)N2CC[C@H](c3nn(CCN(C)C)c4nccnc34)C2)c1 ZINC000072391681 205342089 /nfs/dbraw/zinc/34/20/89/205342089.db2.gz QSGUYGJCSUCOIA-INIZCTEOSA-N 0 3 394.479 2.026 40 0 GEABHN Cc1ccc(C(=O)NCCN(C)C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224296810 206018213 /nfs/dbraw/zinc/01/82/13/206018213.db2.gz ZJSULCDPWOIXTQ-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN Cc1cccc(CNC[C@H]2COCc3nc4cc(S(C)(=O)=O)ccc4n32)n1 ZINC000096112778 206117435 /nfs/dbraw/zinc/11/74/35/206117435.db2.gz FDTOZXWGZJCLTE-HNNXBMFYSA-N 0 3 386.477 2.004 40 0 biogenic,in-vitro GEABHN COc1ccc(CNC[C@H]2COCc3nc4cc(NC(C)=O)ccc4n32)cn1 ZINC000096112769 206118106 /nfs/dbraw/zinc/11/81/06/206118106.db2.gz RJGHIFOUPDCSNH-INIZCTEOSA-N 0 3 381.436 2.259 40 0 biogenic,in-vitro GEABHN Cc1ccc2cc(C(=O)N3CCC[C@](O)(CN4CCN(C)CC4)CC3)[nH]c2c1 ZINC000257202703 206158294 /nfs/dbraw/zinc/15/82/94/206158294.db2.gz AMXXSGLBFBJOMI-JOCHJYFZSA-N 0 3 384.524 2.081 40 0 GEABHN CC(C)[C@@H](N)C(=O)N1CCC2(CC1)CO[C@]1(C)CC[C@H](O)C(C)(C)O[C@H]1C2 ZINC000257327592 206179733 /nfs/dbraw/zinc/17/97/33/206179733.db2.gz XBZADSHUUUDSHR-MIALQEHNSA-N 0 3 382.545 2.076 40 0 GEABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(CC1CC1)C[C@H]2c1cccnc1 ZINC000306140104 206205055 /nfs/dbraw/zinc/20/50/55/206205055.db2.gz UJYRJPOHWOIQRS-UNMCSNQZSA-N 0 3 378.476 2.084 40 0 GEABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000306141281 206207214 /nfs/dbraw/zinc/20/72/14/206207214.db2.gz VQMCQFAZNPUAIK-SIKLNZKXSA-N 0 3 395.507 2.314 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1CC[C@@H]1CN(Cc3ccco3)C[C@@H]21 ZINC000306127141 206197227 /nfs/dbraw/zinc/19/72/27/206197227.db2.gz FPJGOIKLVHSQPR-SJLPKXTDSA-N 0 3 377.448 2.420 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1CC[C@H]1CN(Cc3ccco3)C[C@@H]21 ZINC000306127140 206197832 /nfs/dbraw/zinc/19/78/32/206197832.db2.gz FPJGOIKLVHSQPR-FUHWJXTLSA-N 0 3 377.448 2.420 40 0 GEABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 ZINC000306130372 206198561 /nfs/dbraw/zinc/19/85/61/206198561.db2.gz JDXWKYAVXZRJGR-UHFFFAOYSA-N 0 3 380.496 2.042 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cccs4)C[C@@H]32)cc1 ZINC000306127662 206198723 /nfs/dbraw/zinc/19/87/23/206198723.db2.gz GEIMKSQTHXLAJW-FUHWJXTLSA-N 0 3 394.500 2.052 40 0 GEABHN Cn1cccc1CN1CCC2(CC1)CN(C)C[C@@H](C(=O)NCc1ccccc1)O2 ZINC000306137411 206203341 /nfs/dbraw/zinc/20/33/41/206203341.db2.gz QVQJDIIPGYUCJX-NRFANRHFSA-N 0 3 396.535 2.007 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306134079 206203476 /nfs/dbraw/zinc/20/34/76/206203476.db2.gz NDCKPCVCHCONKN-CVEARBPZSA-N 0 3 392.438 2.369 40 0 GEABHN O[C@@H]1C[C@@](CNCc2cccnc2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC000107430397 560044921 /nfs/dbraw/zinc/04/49/21/560044921.db2.gz FUIIMYBQZDDCPM-ALXJQNPVSA-N 0 3 397.397 2.166 40 0 biogenic,in-vitro GEABHN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4CC4CC4)n3)ccn2)CC1 ZINC000049155038 560084061 /nfs/dbraw/zinc/08/40/61/560084061.db2.gz QUBNUUBTWSWROE-SFHVURJKSA-N 0 3 396.495 2.347 40 0 biogenic,in-vitro GEABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228820 570221323 /nfs/dbraw/zinc/22/13/23/570221323.db2.gz JHFIAZFBXUEKDN-JOCHJYFZSA-N 0 3 384.524 2.284 40 0 GEABHN COCCN1CCOC[C@]2(CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000096228764 570221471 /nfs/dbraw/zinc/22/14/71/570221471.db2.gz PJSGEAZWLRROGE-JOCHJYFZSA-N 0 3 385.508 2.298 40 0 GEABHN CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1cnn(C)c1)CC2 ZINC000096260459 570225920 /nfs/dbraw/zinc/22/59/20/570225920.db2.gz FRKSCUKQTZBRHH-UHFFFAOYSA-N 0 3 396.539 2.376 40 0 GEABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)C(C)C)CC2 ZINC000096262308 570226156 /nfs/dbraw/zinc/22/61/56/570226156.db2.gz FSFQZKQCDWIWJT-RBUKOAKNSA-N 0 3 384.524 2.009 40 0 GEABHN COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)C)c1 ZINC000585262191 570229679 /nfs/dbraw/zinc/22/96/79/570229679.db2.gz VTHMJVMBHBMQRD-ZRNYENFQSA-N 0 3 388.439 2.075 40 0 GEABHN CC(C)N(Cc1ccccc1)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O ZINC000585283041 570251479 /nfs/dbraw/zinc/25/14/79/570251479.db2.gz AVXQHGHZMJFXTE-UPVQGACJSA-N 0 3 396.531 2.464 40 0 GEABHN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000097952885 570261617 /nfs/dbraw/zinc/26/16/17/570261617.db2.gz RZTFTYJYPIPRRY-QFIPXVFZSA-N 0 3 395.507 2.411 40 0 GEABHN C[C@H]1CN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000022874161 570332583 /nfs/dbraw/zinc/33/25/83/570332583.db2.gz IVGNNRSXOKVDQE-IBGZPJMESA-N 0 3 382.504 2.492 40 0 GEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242538928 570341108 /nfs/dbraw/zinc/34/11/08/570341108.db2.gz JIFCIRQKSVAIOQ-NLWGTHIKSA-N 0 3 389.473 2.143 40 0 GEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382072 570353198 /nfs/dbraw/zinc/35/31/98/570353198.db2.gz CEBZWGVYNHFRPH-XNFNUYLZSA-N 0 3 389.446 2.322 40 0 biogenic,in-vitro GEABHN C[C@@H]1CN(C2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@H](C)O1 ZINC000012363746 570646053 /nfs/dbraw/zinc/64/60/53/570646053.db2.gz WSEUETHMVHJQFV-CALCHBBNSA-N 0 3 384.524 2.200 40 0 GEABHN CC[C@@H](C(=O)NCCN1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716852 570779065 /nfs/dbraw/zinc/77/90/65/570779065.db2.gz SSEDGQVCINVOFJ-IBGZPJMESA-N 0 3 395.569 2.450 40 0 GEABHN C[C@@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257313471 570907403 /nfs/dbraw/zinc/90/74/03/570907403.db2.gz USPWHYGACXACMI-FGTMMUONSA-N 0 3 386.540 2.406 40 0 GEABHN CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019446823 570925846 /nfs/dbraw/zinc/92/58/46/570925846.db2.gz WXHLEJHCXOGUNW-RTBURBONSA-N 0 3 376.549 2.500 40 0 GEABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000585109707 570938201 /nfs/dbraw/zinc/93/82/01/570938201.db2.gz JPCJMILJYWSMTK-JAXLGGSGSA-N 0 3 381.476 2.131 40 0 GEABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)n(C)n1 ZINC000585109752 570938309 /nfs/dbraw/zinc/93/83/09/570938309.db2.gz PIAQUCXMOVKTCO-IRFCIJBXSA-N 0 3 390.491 2.162 40 0 GEABHN COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019078542 570955884 /nfs/dbraw/zinc/95/58/84/570955884.db2.gz TYDNBXPDQHVYBG-JKSUJKDBSA-N 0 3 396.491 2.304 40 0 GEABHN O[C@]1(c2ccccc2)CCN(Cc2ccccc2OCCN2CCOCC2)C1 ZINC000019369784 570980574 /nfs/dbraw/zinc/98/05/74/570980574.db2.gz VJKYPBBVABWIPZ-HSZRJFAPSA-N 0 3 382.504 2.491 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019551364 571000876 /nfs/dbraw/zinc/00/08/76/571000876.db2.gz FXAVBSFKQCYSBL-LJQANCHMSA-N 0 3 396.491 2.436 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019551376 571000945 /nfs/dbraw/zinc/00/09/45/571000945.db2.gz MTVZEJPKXCFAES-SFHVURJKSA-N 0 3 382.464 2.046 40 0 GEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572701 571010809 /nfs/dbraw/zinc/01/08/09/571010809.db2.gz RCOGPZSIJOSUMX-DLBZAZTESA-N 0 3 382.512 2.245 40 0 GEABHN COc1ccc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cn1 ZINC000019583251 571014280 /nfs/dbraw/zinc/01/42/80/571014280.db2.gz DSQIKSVKHPURTD-MRXNPFEDSA-N 0 3 394.479 2.026 40 0 GEABHN COc1cccc(CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)c1 ZINC000019588605 571016612 /nfs/dbraw/zinc/01/66/12/571016612.db2.gz COHLWOLGBLMMMC-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN CN1CCc2nc([C@H]3CCCN3C(=O)Cn3cnc4ccccc43)ncc2C1 ZINC000019590527 571018197 /nfs/dbraw/zinc/01/81/97/571018197.db2.gz AUFIRBYQAOQJNG-LJQANCHMSA-N 0 3 376.464 2.178 40 0 GEABHN O=C(c1cc(C2CCCCC2)no1)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709226 571033680 /nfs/dbraw/zinc/03/36/80/571033680.db2.gz CGZGFRAUDRTPSL-MRXNPFEDSA-N 0 3 398.511 2.479 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)CC3)C1 ZINC000019709245 571033788 /nfs/dbraw/zinc/03/37/88/571033788.db2.gz DJAPZUFKKZVBPL-HNNXBMFYSA-N 0 3 396.470 2.406 40 0 GEABHN Cc1cccc(C)c1OCC(=O)N1CCn2c(nnc2[C@@H]2CCCN(C)C2)C1 ZINC000019710960 571034772 /nfs/dbraw/zinc/03/47/72/571034772.db2.gz JGLRLVFYJXXFMS-QGZVFWFLSA-N 0 3 383.496 2.125 40 0 GEABHN Cc1ccccc1OCCC(=O)N1CCn2c(nnc2C2CCN(C)CC2)C1 ZINC000019711278 571035114 /nfs/dbraw/zinc/03/51/14/571035114.db2.gz KXBFYDUFRMZIKA-UHFFFAOYSA-N 0 3 383.496 2.207 40 0 GEABHN CCOCc1ccc(C(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)cc1 ZINC000019711257 571035148 /nfs/dbraw/zinc/03/51/48/571035148.db2.gz HWWSZNCXVOWEAA-UHFFFAOYSA-N 0 3 383.496 2.280 40 0 GEABHN Cc1ccc(C)c(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000013646574 204500566 /nfs/dbraw/zinc/50/05/66/204500566.db2.gz UDINUNYFRCHQDY-UHFFFAOYSA-N 0 3 389.521 2.177 40 0 GEABHN COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CCNC3)CO2 ZINC000019562395 204655797 /nfs/dbraw/zinc/65/57/97/204655797.db2.gz GRRVYSNDKIYGHN-DNVCBOLYSA-N 0 3 394.475 2.046 40 0 GEABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000036741282 205020961 /nfs/dbraw/zinc/02/09/61/205020961.db2.gz KXJZTRDAMYIGTO-PGRDOPGGSA-N 0 3 385.460 2.483 40 0 GEABHN Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2CC(=O)N(C)C)CC1 ZINC000072354282 205331791 /nfs/dbraw/zinc/33/17/91/205331791.db2.gz CCIAWMPSIBDUAC-KRWDZBQOSA-N 0 3 376.501 2.086 40 0 GEABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2c(C)noc2C)CN(C)C(=O)C1 ZINC000096113430 206117408 /nfs/dbraw/zinc/11/74/08/206117408.db2.gz YAQOGCFUGRJWSK-IAGOWNOFSA-N 0 3 378.517 2.267 40 0 biogenic,in-vitro GEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc3c(c2)OCO3)COC1 ZINC000096112746 206118343 /nfs/dbraw/zinc/11/83/43/206118343.db2.gz HBMPNIPDKRQAKT-HNNXBMFYSA-N 0 3 395.415 2.413 40 0 biogenic,in-vitro GEABHN NCc1cn(-c2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cn1 ZINC000257212264 206160060 /nfs/dbraw/zinc/16/00/60/206160060.db2.gz CCOWGTNTCRYPOO-UHFFFAOYSA-N 0 3 375.476 2.289 40 0 GEABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccncc3)C2)cc1 ZINC000306140505 206205945 /nfs/dbraw/zinc/20/59/45/206205945.db2.gz UVOAPGWTKOXWHR-JOCHJYFZSA-N 0 3 389.459 2.256 40 0 GEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccccn3)CC1)COC2 ZINC000306145035 206206326 /nfs/dbraw/zinc/20/63/26/206206326.db2.gz ZVVJHOZKJDKIBJ-INIZCTEOSA-N 0 3 398.511 2.014 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cccs4)C[C@@H]32)cc1 ZINC000306127663 206199204 /nfs/dbraw/zinc/19/92/04/206199204.db2.gz GEIMKSQTHXLAJW-SJLPKXTDSA-N 0 3 394.500 2.052 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306130204 206200015 /nfs/dbraw/zinc/20/00/15/206200015.db2.gz IZDIFQLYPFJNKJ-CVEARBPZSA-N 0 3 392.438 2.369 40 0 GEABHN COCCN1CC[C@@]2(CN(Cc3cccnc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130769 206201537 /nfs/dbraw/zinc/20/15/37/206201537.db2.gz JOYBINWRWBOHDF-KNQAVFIVSA-N 0 3 397.523 2.324 40 0 GEABHN CN(C)C(=O)NC[C@H]1N(C(=O)c2ccsc2)CCCC12CCN(C)CC2 ZINC000306136896 206203683 /nfs/dbraw/zinc/20/36/83/206203683.db2.gz QGFNNMSPYSJDCV-MRXNPFEDSA-N 0 3 378.542 2.336 40 0 GEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(F)cc2)cc1 ZINC000013670756 525505340 /nfs/dbraw/zinc/50/53/40/525505340.db2.gz FKXBGUWXDXAECO-UHFFFAOYSA-N 0 3 393.484 2.007 40 0 GEABHN CN1[C@@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442479 560079886 /nfs/dbraw/zinc/07/98/86/560079886.db2.gz XDURXFXJTKYICV-NSHGMRRFSA-N 0 3 386.540 2.325 40 0 biogenic,in-vitro GEABHN CN1CCN(CCNc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)CC1 ZINC000328989103 570210917 /nfs/dbraw/zinc/21/09/17/570210917.db2.gz IIWPTUBGFFKFBC-UHFFFAOYSA-N 0 3 394.567 2.391 40 0 GEABHN COCCN1CC[C@H](c2nnc3ccc(C(=O)Nc4cccc(OC)c4)cn32)C1 ZINC000096267504 570227643 /nfs/dbraw/zinc/22/76/43/570227643.db2.gz RWLPDHFERABJMO-HNNXBMFYSA-N 0 3 395.463 2.426 40 0 GEABHN COc1cc2c(cc1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1)CCCC2 ZINC000585294519 570263974 /nfs/dbraw/zinc/26/39/74/570263974.db2.gz HOPHYCPIALIFSJ-SGKWCMOWSA-N 0 3 397.515 2.084 40 0 GEABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013669294 570770103 /nfs/dbraw/zinc/77/01/03/570770103.db2.gz LLLFFKZVUNTERJ-UHFFFAOYSA-N 0 3 393.484 2.007 40 0 GEABHN CC[C@H](C(=O)NCCN1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711800 570777892 /nfs/dbraw/zinc/77/78/92/570777892.db2.gz JJDGDTGUHIIMKN-GOSISDBHSA-N 0 3 381.542 2.223 40 0 GEABHN CNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc([C@H]2CCCN2)n1 ZINC000019759860 570887660 /nfs/dbraw/zinc/88/76/60/570887660.db2.gz YJEBPMQEIJSNMD-MRXNPFEDSA-N 0 3 393.488 2.211 40 0 GEABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000101969116 570901939 /nfs/dbraw/zinc/90/19/39/570901939.db2.gz CFOZSUCGWGPVGW-KDURUIRLSA-N 0 3 382.512 2.260 40 0 GEABHN COCCn1nnnc1[C@H](c1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000019594096 570929217 /nfs/dbraw/zinc/92/92/17/570929217.db2.gz IPZXZLRPZLHPPH-IBGZPJMESA-N 0 3 388.491 2.108 40 0 GEABHN COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019078554 570955769 /nfs/dbraw/zinc/95/57/69/570955769.db2.gz TYDNBXPDQHVYBG-CVEARBPZSA-N 0 3 396.491 2.304 40 0 GEABHN COc1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019078538 570955912 /nfs/dbraw/zinc/95/59/12/570955912.db2.gz XRIQTEXILICJDS-CVEARBPZSA-N 0 3 396.491 2.304 40 0 GEABHN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019345907 570977987 /nfs/dbraw/zinc/97/79/87/570977987.db2.gz WZAJYWJTDNOYMH-BFUOFWGJSA-N 0 3 398.894 2.485 40 0 GEABHN CC(C)NC(=O)[C@H]1CN(Cc2ccccn2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450086 570984831 /nfs/dbraw/zinc/98/48/31/570984831.db2.gz KWXCQAVLMYYCAB-OALUTQOASA-N 0 3 394.523 2.212 40 0 GEABHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)C1 ZINC000019462413 570988792 /nfs/dbraw/zinc/98/87/92/570988792.db2.gz GDSIMHXIRUECLL-QZTJIDSGSA-N 0 3 399.535 2.490 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556844 571003396 /nfs/dbraw/zinc/00/33/96/571003396.db2.gz ZFZHFZZIPHPEBH-DJJJIMSYSA-N 0 3 382.512 2.244 40 0 GEABHN COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1OC ZINC000019560461 571005395 /nfs/dbraw/zinc/00/53/95/571005395.db2.gz DWKISZXMWIJKJJ-QGZVFWFLSA-N 0 3 382.464 2.046 40 0 GEABHN COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CCNC3)C2 ZINC000019568293 571009246 /nfs/dbraw/zinc/00/92/46/571009246.db2.gz AJSHHVCXIFMHTI-MAUKXSAKSA-N 0 3 394.475 2.046 40 0 GEABHN COc1cccc2c1OC[C@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CCNC3)C2 ZINC000019568296 571009377 /nfs/dbraw/zinc/00/93/77/571009377.db2.gz AJSHHVCXIFMHTI-QAPCUYQASA-N 0 3 394.475 2.046 40 0 GEABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCC4)C3)C1 ZINC000019588618 571016304 /nfs/dbraw/zinc/01/63/04/571016304.db2.gz NAONGWGEZILHLZ-CQSZACIVSA-N 0 3 380.496 2.086 40 0 GEABHN COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019590259 571017287 /nfs/dbraw/zinc/01/72/87/571017287.db2.gz JKPUAAAUSHZSLB-MRXNPFEDSA-N 0 3 396.491 2.127 40 0 GEABHN COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019590259 571017290 /nfs/dbraw/zinc/01/72/90/571017290.db2.gz JKPUAAAUSHZSLB-MRXNPFEDSA-N 0 3 396.491 2.127 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590608 571017806 /nfs/dbraw/zinc/01/78/06/571017806.db2.gz GIDZUVVKEKQLNY-HNNXBMFYSA-N 0 3 396.491 2.040 40 0 GEABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)c3ccccn3)c2)CC1 ZINC000019698156 571030478 /nfs/dbraw/zinc/03/04/78/571030478.db2.gz GXNYQFNCUNXMAJ-OAQYLSRUSA-N 0 3 393.491 2.431 40 0 GEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)Cc1ccccc1)C2 ZINC000019707057 571032856 /nfs/dbraw/zinc/03/28/56/571032856.db2.gz VOLWLKCMNSTYPS-UHFFFAOYSA-N 0 3 379.508 2.455 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)C3)C1 ZINC000019710985 571034535 /nfs/dbraw/zinc/03/45/35/571034535.db2.gz AWLRTDAAXDHOCH-AWEZNQCLSA-N 0 3 382.443 2.364 40 0 GEABHN Cn1c(C(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)cc2cc(F)ccc21 ZINC000019710989 571034667 /nfs/dbraw/zinc/03/46/67/571034667.db2.gz SDMVNPSDIGFRKT-AWEZNQCLSA-N 0 3 396.470 2.374 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)C3)C1 ZINC000019711093 571035016 /nfs/dbraw/zinc/03/50/16/571035016.db2.gz BCHFWQSQRHIJQB-HNNXBMFYSA-N 0 3 378.480 2.154 40 0 GEABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056132 571098585 /nfs/dbraw/zinc/09/85/85/571098585.db2.gz UTIIHUJKNDQLTG-UGKGYDQZSA-N 0 3 379.508 2.283 40 0 GEABHN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)CC1 ZINC000013632364 531560320 /nfs/dbraw/zinc/56/03/20/531560320.db2.gz SRKQVTQCJPOXKA-UHFFFAOYSA-N 0 3 387.933 2.052 40 0 GEABHN O=S1(=O)CC[C@H](NCCn2cncc2-c2[nH]c3ccccc3c2Cl)C1 ZINC000019719397 531578102 /nfs/dbraw/zinc/57/81/02/531578102.db2.gz MAVBLRRYLSULHD-LBPRGKRZSA-N 0 3 378.885 2.462 40 0 GEABHN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCCN1CCOCC1 ZINC000035311529 204166189 /nfs/dbraw/zinc/16/61/89/204166189.db2.gz JZJFMVBYLZYOBE-INIZCTEOSA-N 0 3 375.513 2.236 40 0 GEABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000012291426 204389266 /nfs/dbraw/zinc/38/92/66/204389266.db2.gz FFFRQUHWZMBPAG-NRFANRHFSA-N 0 3 386.517 2.491 40 0 GEABHN COc1ccc([C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000012337959 204398762 /nfs/dbraw/zinc/39/87/62/204398762.db2.gz YRTPHUPNKJJANH-RBUKOAKNSA-N 0 3 396.491 2.305 40 0 GEABHN CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCCN3CCC(C(N)=O)CC3)c2C1 ZINC000019715937 204674727 /nfs/dbraw/zinc/67/47/27/204674727.db2.gz LOAHTNWDBFICRO-OAHLLOKOSA-N 0 3 390.528 2.143 40 0 GEABHN CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc21 ZINC000072345806 205329953 /nfs/dbraw/zinc/32/99/53/205329953.db2.gz DYHNBCBLKSVAAS-FQEVSTJZSA-N 0 3 393.553 2.354 40 0 GEABHN NC(=O)CCN1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352398 205331957 /nfs/dbraw/zinc/33/19/57/205331957.db2.gz ALUMJBFVAJYSAZ-CQSZACIVSA-N 0 3 387.505 2.038 40 0 GEABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3ncccc23)C1 ZINC000072391593 205341566 /nfs/dbraw/zinc/34/15/66/205341566.db2.gz SKOUJGPTWBCBDO-MRXNPFEDSA-N 0 3 381.455 2.348 40 0 GEABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1 ZINC000096036880 205517563 /nfs/dbraw/zinc/51/75/63/205517563.db2.gz RIICRWWOKKCORT-GOSISDBHSA-N 0 3 383.496 2.037 40 0 GEABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCOCC3)CC2)cs1 ZINC000225423275 206047518 /nfs/dbraw/zinc/04/75/18/206047518.db2.gz PNODIHXEADPXFK-QGZVFWFLSA-N 0 3 395.569 2.216 40 0 biogenic,in-vitro GEABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCCN(C)C)c2)[C@H]1O ZINC000257287022 206173172 /nfs/dbraw/zinc/17/31/72/206173172.db2.gz PODNEKGFGLWCDZ-VAMGGRTRSA-N 0 3 386.496 2.016 40 0 GEABHN Cc1nc([C@@]2(C)CCCN(C3CCN(S(C)(=O)=O)CC3)C2)c2sccn12 ZINC000257246287 206166039 /nfs/dbraw/zinc/16/60/39/206166039.db2.gz ITLFBSKJBQEVAP-SFHVURJKSA-N 0 3 396.582 2.482 40 0 GEABHN Cc1cc(Nc2cc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)nc(C)n2)n[nH]1 ZINC000257273990 206170813 /nfs/dbraw/zinc/17/08/13/206170813.db2.gz NJBMLRYZZTTXMO-MRXNPFEDSA-N 0 3 383.500 2.408 40 0 GEABHN CN1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000306143328 206206222 /nfs/dbraw/zinc/20/62/22/206206222.db2.gz XYZHLJMGXQSIJE-ZWKOTPCHSA-N 0 3 380.492 2.085 40 0 GEABHN c1cc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)ccn1 ZINC000306129787 206198261 /nfs/dbraw/zinc/19/82/61/206198261.db2.gz IMWPYWTZWBXSRV-GOSISDBHSA-N 0 3 378.480 2.341 40 0 GEABHN Cn1cncc1CNc1ncc2c(n1)[C@@]1(CCN(Cc3ccccc3)C1)COC2 ZINC000306127602 206198372 /nfs/dbraw/zinc/19/83/72/206198372.db2.gz GDGXREAHUOLWPQ-JOCHJYFZSA-N 0 3 390.491 2.496 40 0 GEABHN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000223795199 136205948 /nfs/dbraw/zinc/20/59/48/136205948.db2.gz NPHAVBLXNXGXTM-UHFFFAOYSA-N 0 3 389.477 2.026 40 0 GEABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 ZINC000008254248 560107895 /nfs/dbraw/zinc/10/78/95/560107895.db2.gz FUNBDNSMVNKXFU-SXLOBPIMSA-N 0 3 382.512 2.043 40 0 biogenic,in-vitro GEABHN Cc1c(-c2cncn2CCN[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)nn1C ZINC000019719405 570210533 /nfs/dbraw/zinc/21/05/33/570210533.db2.gz JDRWXQBPNDFHPQ-KRWDZBQOSA-N 0 3 399.520 2.036 40 0 GEABHN CC(C)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145923 570213849 /nfs/dbraw/zinc/21/38/49/570213849.db2.gz PRFZFDHMFJGTCF-ROUUACIJSA-N 0 3 395.569 2.120 40 0 GEABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCO)cc2)cc1 ZINC000585270494 570239212 /nfs/dbraw/zinc/23/92/12/570239212.db2.gz XVANBVKHJSRQGK-SFHVURJKSA-N 0 3 375.465 2.328 40 0 GEABHN CCc1oncc1C(=O)N1CC2(C1)CC[C@H](CN(C)Cc1cccnc1)CO2 ZINC000575405079 570521484 /nfs/dbraw/zinc/52/14/84/570521484.db2.gz RPTMYXSJJVMWFD-QGZVFWFLSA-N 0 3 384.480 2.385 40 0 GEABHN COc1ccc(S(=O)(=O)N2Cc3ccccc3O[C@H](CN(C)C)C2)cc1 ZINC000012407684 570654486 /nfs/dbraw/zinc/65/44/86/570654486.db2.gz VERKTBMRAQXSPK-QGZVFWFLSA-N 0 3 376.478 2.209 40 0 GEABHN CCn1c2ccc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)cc2sc1=O ZINC000260801654 570708210 /nfs/dbraw/zinc/70/82/10/570708210.db2.gz KHLDAVJADLFXAG-AWEZNQCLSA-N 0 3 397.566 2.483 40 0 GEABHN CC[C@H](C(=O)NCCN1CCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715968 570779148 /nfs/dbraw/zinc/77/91/48/570779148.db2.gz XIGHYLITJSYASY-GOSISDBHSA-N 0 3 399.532 2.363 40 0 GEABHN CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019446825 570925944 /nfs/dbraw/zinc/92/59/44/570925944.db2.gz WXHLEJHCXOGUNW-MOPGFXCFSA-N 0 3 376.549 2.500 40 0 GEABHN COCCn1nnnc1[C@@H](c1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000019594097 570929277 /nfs/dbraw/zinc/92/92/77/570929277.db2.gz IPZXZLRPZLHPPH-LJQANCHMSA-N 0 3 388.491 2.108 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585103154 570931505 /nfs/dbraw/zinc/93/15/05/570931505.db2.gz DVKMXFIZTQJWAG-ROUUACIJSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585103154 570931508 /nfs/dbraw/zinc/93/15/08/570931508.db2.gz DVKMXFIZTQJWAG-ROUUACIJSA-N 0 3 388.508 2.169 40 0 GEABHN C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C[C@H]1O ZINC000585103040 570931532 /nfs/dbraw/zinc/93/15/32/570931532.db2.gz BMAOFYMFNORTQS-NSISKUIASA-N 0 3 388.508 2.106 40 0 GEABHN C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C[C@H]1O ZINC000585103040 570931534 /nfs/dbraw/zinc/93/15/34/570931534.db2.gz BMAOFYMFNORTQS-NSISKUIASA-N 0 3 388.508 2.106 40 0 GEABHN CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)CC1 ZINC000019016763 570953960 /nfs/dbraw/zinc/95/39/60/570953960.db2.gz CJGDZBVJSAFAJE-NJDAHSKKSA-N 0 3 387.499 2.473 40 0 GEABHN C[C@@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@]2(CCCN(C)CC2)C1 ZINC000019079586 570955874 /nfs/dbraw/zinc/95/58/74/570955874.db2.gz UIEVNTTXENTBAS-VLIAUNLRSA-N 0 3 395.450 2.032 40 0 GEABHN COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019078533 570955879 /nfs/dbraw/zinc/95/58/79/570955879.db2.gz XRIQTEXILICJDS-HZPDHXFCSA-N 0 3 396.491 2.304 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)cc1F ZINC000019214530 570961316 /nfs/dbraw/zinc/96/13/16/570961316.db2.gz NHKLYSXVWBMJGA-CQSZACIVSA-N 0 3 390.484 2.090 40 0 GEABHN Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1 ZINC000019237995 570967531 /nfs/dbraw/zinc/96/75/31/570967531.db2.gz LBYOUHWFFBIUEP-OAHLLOKOSA-N 0 3 382.512 2.012 40 0 GEABHN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292279 570972722 /nfs/dbraw/zinc/97/27/22/570972722.db2.gz GZWKFLDZUDQEDH-WBVHZDCISA-N 0 3 398.507 2.094 40 0 GEABHN O[C@]1(c2ccccc2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000019369766 570980589 /nfs/dbraw/zinc/98/05/89/570980589.db2.gz SHCQSNZJMYWVJL-HSZRJFAPSA-N 0 3 382.504 2.491 40 0 GEABHN C[C@H]1C[C@H](C)CN(C(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)C1 ZINC000019462418 570989108 /nfs/dbraw/zinc/98/91/08/570989108.db2.gz GDSIMHXIRUECLL-ROUUACIJSA-N 0 3 399.535 2.490 40 0 GEABHN CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019501597 570993150 /nfs/dbraw/zinc/99/31/50/570993150.db2.gz HLZJFZGFGOBLDF-KRWDZBQOSA-N 0 3 395.507 2.229 40 0 GEABHN CCOc1ncccc1C(=O)NCCn1nc([C@H]2CCN(C)C2)c2cccnc21 ZINC000019531550 570998581 /nfs/dbraw/zinc/99/85/81/570998581.db2.gz TWDSXCVFFLDKFU-HNNXBMFYSA-N 0 3 394.479 2.074 40 0 GEABHN COc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019554525 571002511 /nfs/dbraw/zinc/00/25/11/571002511.db2.gz DVVNHRLVUZIVEX-KRWDZBQOSA-N 0 3 380.492 2.470 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556850 571003828 /nfs/dbraw/zinc/00/38/28/571003828.db2.gz ZFZHFZZIPHPEBH-ORAYPTAESA-N 0 3 382.512 2.244 40 0 GEABHN COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1OC ZINC000019560524 571005507 /nfs/dbraw/zinc/00/55/07/571005507.db2.gz WCQNJKPUXZSCMW-QGZVFWFLSA-N 0 3 382.464 2.046 40 0 GEABHN COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019571420 571010175 /nfs/dbraw/zinc/01/01/75/571010175.db2.gz HQEZULAITVWXJK-QGZVFWFLSA-N 0 3 382.464 2.264 40 0 GEABHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019571540 571010188 /nfs/dbraw/zinc/01/01/88/571010188.db2.gz XHGGGUSKOOYVRI-KRWDZBQOSA-N 0 3 390.484 2.486 40 0 GEABHN COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)cc1 ZINC000019587939 571015856 /nfs/dbraw/zinc/01/58/56/571015856.db2.gz AEUYSVVQLUTOCH-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1OC ZINC000019590520 571017976 /nfs/dbraw/zinc/01/79/76/571017976.db2.gz RGSUXCQZJDERRO-GOSISDBHSA-N 0 3 396.491 2.388 40 0 GEABHN COc1cccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 ZINC000019590683 571018737 /nfs/dbraw/zinc/01/87/37/571018737.db2.gz MPLYDKWZGWVZOR-UHFFFAOYSA-N 0 3 380.492 2.422 40 0 GEABHN O=C(c1cc(-c2ccccc2F)no1)N1CCc2nnc([C@@H]3CCCN3)n2CC1 ZINC000019706310 571032248 /nfs/dbraw/zinc/03/22/48/571032248.db2.gz FZJLMXHTKMYAGT-HNNXBMFYSA-N 0 3 396.426 2.195 40 0 GEABHN COc1ccccc1CCC(=O)N1CCc2nnc([C@@H]3CCCN(C)C3)n2CC1 ZINC000019709476 571033981 /nfs/dbraw/zinc/03/39/81/571033981.db2.gz QXJGVEHNRHCOMY-GOSISDBHSA-N 0 3 397.523 2.113 40 0 GEABHN COc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056960 571098571 /nfs/dbraw/zinc/09/85/71/571098571.db2.gz YXFARMYOVNERCI-TZIWHRDSSA-N 0 3 376.497 2.171 40 0 GEABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Br)cc1 ZINC000242400243 532518533 /nfs/dbraw/zinc/51/85/33/532518533.db2.gz ARWMFBNFXPVULY-RBSFLKMASA-N 0 3 376.316 2.331 40 0 GEABHN CN(C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)n1 ZINC000329001656 203769669 /nfs/dbraw/zinc/76/96/69/203769669.db2.gz KFPFDRVCYRORBS-UHFFFAOYSA-N 0 3 384.434 2.246 40 0 GEABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCOC[C@@H]3CCCO3)cc12 ZINC000012186484 204379422 /nfs/dbraw/zinc/37/94/22/204379422.db2.gz UFVATHXHFFGBEZ-SFHVURJKSA-N 0 3 382.464 2.307 40 0 GEABHN O=C(Cn1nnc(-c2cccnc2)n1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000036752257 205021427 /nfs/dbraw/zinc/02/14/27/205021427.db2.gz SOXNLVUSIBYMOI-LJQANCHMSA-N 0 3 391.479 2.079 40 0 GEABHN O=C1CCCN1c1ccc(CN2CCc3nnc([C@@H]4CCCCN4)n3CC2)cc1 ZINC000072372822 205337332 /nfs/dbraw/zinc/33/73/32/205337332.db2.gz ACMLJYFZLOKSRZ-IBGZPJMESA-N 0 3 394.523 2.278 40 0 GEABHN O=C(CCn1ncc2ccccc21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390800 205340765 /nfs/dbraw/zinc/34/07/65/205340765.db2.gz GPSINPUEPUUISL-SFHVURJKSA-N 0 3 376.464 2.226 40 0 GEABHN CN(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224234137 206016419 /nfs/dbraw/zinc/01/64/19/206016419.db2.gz WBQKTPHCCAKSMH-UHFFFAOYSA-N 0 3 395.912 2.457 40 0 GEABHN CCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257202213 206156990 /nfs/dbraw/zinc/15/69/90/206156990.db2.gz AKXWIZRFYZNJBX-IBGZPJMESA-N 0 3 394.519 2.335 40 0 GEABHN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257344434 206182696 /nfs/dbraw/zinc/18/26/96/206182696.db2.gz ZXENYYWEUROPKI-GOSISDBHSA-N 0 3 384.471 2.044 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccccn3)C[C@H]1C2 ZINC000306139155 206206047 /nfs/dbraw/zinc/20/60/47/206206047.db2.gz SQTAHOABWUGVBE-HUUCEWRRSA-N 0 3 392.438 2.369 40 0 GEABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244146 136185614 /nfs/dbraw/zinc/18/56/14/136185614.db2.gz PQVAWKIWFNUNII-JOCHJYFZSA-N 0 3 380.492 2.296 40 0 GEABHN COc1cccc(CN2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)c1 ZINC000096251155 136185642 /nfs/dbraw/zinc/18/56/42/136185642.db2.gz PKIZXMQFOFUZBC-DENIHFKCSA-N 0 3 395.507 2.044 40 0 GEABHN CN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144485 570213515 /nfs/dbraw/zinc/21/35/15/570213515.db2.gz QMBPYHGQFHRXCX-NZQKXSOJSA-N 0 3 393.487 2.052 40 0 GEABHN Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3CC(=O)N(C)C)CC2)cs1 ZINC000019746319 570213576 /nfs/dbraw/zinc/21/35/76/570213576.db2.gz VGDJHYQFWVXRSC-GOSISDBHSA-N 0 3 392.569 2.175 40 0 GEABHN CN(C)c1ncc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)n(CC3CC3)c2)cn1 ZINC000096266408 570227357 /nfs/dbraw/zinc/22/73/57/570227357.db2.gz AWAIDQOWSLDOOT-SFHVURJKSA-N 0 3 382.512 2.197 40 0 GEABHN CN(CCc1ccccc1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285008 570254280 /nfs/dbraw/zinc/25/42/80/570254280.db2.gz NAIIGWXEDYMPPQ-UPVQGACJSA-N 0 3 396.531 2.118 40 0 GEABHN Cc1cccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)c1C ZINC000585286081 570255522 /nfs/dbraw/zinc/25/55/22/570255522.db2.gz VDQYZKFLSKWSIZ-UPVQGACJSA-N 0 3 396.531 2.350 40 0 GEABHN O=S(=O)(N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108530578 570313087 /nfs/dbraw/zinc/31/30/87/570313087.db2.gz LOCLUGYQSCZHAC-MRXNPFEDSA-N 0 3 382.501 2.421 40 0 GEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2F)cc1 ZINC000013673474 570771299 /nfs/dbraw/zinc/77/12/99/570771299.db2.gz OHBQHWFDYWORBX-UHFFFAOYSA-N 0 3 393.484 2.007 40 0 GEABHN Cc1ccccc1CN(c1ccc(C(=O)NCCN(C)C)cc1)S(C)(=O)=O ZINC000013676031 570772279 /nfs/dbraw/zinc/77/22/79/570772279.db2.gz OALAACBEUQMVFH-UHFFFAOYSA-N 0 3 389.521 2.253 40 0 GEABHN CNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc([C@@H]2CCCN2)n1 ZINC000019759857 570887632 /nfs/dbraw/zinc/88/76/32/570887632.db2.gz YJEBPMQEIJSNMD-INIZCTEOSA-N 0 3 393.488 2.211 40 0 GEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)cc1F ZINC000585104846 570934168 /nfs/dbraw/zinc/93/41/68/570934168.db2.gz UIAVPNBNWHEROA-QZTJIDSGSA-N 0 3 376.472 2.212 40 0 GEABHN C[C@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@@]2(CCCN(C)CC2)C1 ZINC000019079583 570955760 /nfs/dbraw/zinc/95/57/60/570955760.db2.gz UIEVNTTXENTBAS-VBKZILBWSA-N 0 3 395.450 2.032 40 0 GEABHN C[C@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459196 570988012 /nfs/dbraw/zinc/98/80/12/570988012.db2.gz BLEYJRJYYUUGSF-RDJZCZTQSA-N 0 3 380.492 2.268 40 0 GEABHN C[C@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1)c1ccccc1 ZINC000019459196 570988018 /nfs/dbraw/zinc/98/80/18/570988018.db2.gz BLEYJRJYYUUGSF-RDJZCZTQSA-N 0 3 380.492 2.268 40 0 GEABHN CCOc1ncccc1C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2cccnc21 ZINC000019531548 570998721 /nfs/dbraw/zinc/99/87/21/570998721.db2.gz TWDSXCVFFLDKFU-OAHLLOKOSA-N 0 3 394.479 2.074 40 0 GEABHN CCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183646 571001086 /nfs/dbraw/zinc/00/10/86/571001086.db2.gz YUTXBOFIQIZBPF-HXUWFJFHSA-N 0 3 379.504 2.470 40 0 GEABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)CC1 ZINC000585183660 571001164 /nfs/dbraw/zinc/00/11/64/571001164.db2.gz JLRDLGXLZZHIIR-HSZRJFAPSA-N 0 3 398.551 2.092 40 0 GEABHN COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CCNC3)CO2 ZINC000019562398 571005877 /nfs/dbraw/zinc/00/58/77/571005877.db2.gz GRRVYSNDKIYGHN-KXBFYZLASA-N 0 3 394.475 2.046 40 0 GEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 ZINC000019583093 571014267 /nfs/dbraw/zinc/01/42/67/571014267.db2.gz FOSRQBRMMKCKGE-INIZCTEOSA-N 0 3 396.470 2.086 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590606 571017839 /nfs/dbraw/zinc/01/78/39/571017839.db2.gz GIDZUVVKEKQLNY-OAHLLOKOSA-N 0 3 396.491 2.040 40 0 GEABHN COCCOc1ccc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 ZINC000019593654 571019791 /nfs/dbraw/zinc/01/97/91/571019791.db2.gz XIABRFVAPBOBAZ-UHFFFAOYSA-N 0 3 396.491 2.167 40 0 GEABHN Nc1nc(C(F)(F)F)nn1CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000019654765 571022720 /nfs/dbraw/zinc/02/27/20/571022720.db2.gz CKXMSFVMAAJUFW-AWEZNQCLSA-N 0 3 396.417 2.223 40 0 GEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3)C1)C2=O ZINC000019699833 571031096 /nfs/dbraw/zinc/03/10/96/571031096.db2.gz GWSLAYQJCUHQEU-SFHVURJKSA-N 0 3 398.507 2.086 40 0 GEABHN COc1cccc(CN2CCC(c3nnc4n3CCN(C(C)=O)CC4)CC2)c1 ZINC000019708967 571033195 /nfs/dbraw/zinc/03/31/95/571033195.db2.gz TYXFRLHILMVTJX-UHFFFAOYSA-N 0 3 383.496 2.071 40 0 GEABHN CCc1cc2c(ncn(CC(=O)NC(C)(C)CN3CCCCC3)c2=O)s1 ZINC000019714827 571036366 /nfs/dbraw/zinc/03/63/66/571036366.db2.gz MYUHNDRAWWZPCZ-UHFFFAOYSA-N 0 3 376.526 2.401 40 0 GEABHN CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036489 571096313 /nfs/dbraw/zinc/09/63/13/571096313.db2.gz WLUIXWZLXIMCTC-HXUWFJFHSA-N 0 3 375.538 2.431 40 0 GEABHN CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036503 571096505 /nfs/dbraw/zinc/09/65/05/571096505.db2.gz BMXWCNLGUJXQEA-HSZRJFAPSA-N 0 3 399.535 2.378 40 0 GEABHN COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccncc2)CCN3C)cc1 ZINC000096050129 571097274 /nfs/dbraw/zinc/09/72/74/571097274.db2.gz LIZLVSQQEOTVEJ-UHFFFAOYSA-N 0 3 394.519 2.399 40 0 GEABHN Cn1ccnc1N[C@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074218 571098390 /nfs/dbraw/zinc/09/83/90/571098390.db2.gz JKTUNEDWXRAWBK-OAHLLOKOSA-N 0 3 394.479 2.183 40 0 GEABHN NC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515661 645566266 /nfs/dbraw/zinc/56/62/66/645566266.db2.gz MLALTAJACZOZPE-XHSDSOJGSA-N 0 3 381.295 2.045 40 0 GEABHN NC[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242538937 532518814 /nfs/dbraw/zinc/51/88/14/532518814.db2.gz JIRVDPWRCFPHGZ-BBWFWOEESA-N 0 3 396.306 2.326 40 0 GEABHN Cc1ccc(CN(c2ccc(C(=O)NCCN(C)C)cc2)S(C)(=O)=O)cc1 ZINC000010111603 204330005 /nfs/dbraw/zinc/33/00/05/204330005.db2.gz HEWBAASUYNCFKB-UHFFFAOYSA-N 0 3 389.521 2.253 40 0 GEABHN Cn1c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)cc2oc1=O ZINC000012239385 204386324 /nfs/dbraw/zinc/38/63/24/204386324.db2.gz CSKKNVOCVKTDIE-OAHLLOKOSA-N 0 3 393.509 2.161 40 0 GEABHN C[C@H](CC(=O)N(C[C@@H]1CCCO1)C1CCN(C)CC1)n1nnc2ccccc21 ZINC000019455081 204644488 /nfs/dbraw/zinc/64/44/88/204644488.db2.gz LNNRUHNVYOAJHQ-AEFFLSMTSA-N 0 3 385.512 2.484 40 0 GEABHN COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019566876 204657447 /nfs/dbraw/zinc/65/74/47/204657447.db2.gz HNYHMUQUCYBMDO-CQSZACIVSA-N 0 3 382.464 2.159 40 0 GEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1scnc1C)C2 ZINC000072372213 205337675 /nfs/dbraw/zinc/33/76/75/205337675.db2.gz TZGGAKVITYHAMD-UHFFFAOYSA-N 0 3 386.525 2.291 40 0 GEABHN Cc1cc(C(=O)NCCN(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224196850 206016520 /nfs/dbraw/zinc/01/65/20/206016520.db2.gz XDCTWNKDFZSFDM-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN c1nc2n(c1-c1ccc3c(c1)OCCO3)C[C@H](CNCc1ccncc1)OC2 ZINC000096296442 206120620 /nfs/dbraw/zinc/12/06/20/206120620.db2.gz ZBJUYBDMTAXEOD-KRWDZBQOSA-N 0 3 378.432 2.405 40 0 biogenic,in-vitro GEABHN O=C(COc1ccc(CN2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257201195 206157845 /nfs/dbraw/zinc/15/78/45/206157845.db2.gz AGSNMINBLBVDGP-SFTDATJTSA-N 0 3 398.507 2.082 40 0 GEABHN Cc1ccc2cc(C(=O)N3CCC[C@@](O)(CN4CCN(C)CC4)CC3)[nH]c2c1 ZINC000257202704 206158205 /nfs/dbraw/zinc/15/82/05/206158205.db2.gz AMXXSGLBFBJOMI-QFIPXVFZSA-N 0 3 384.524 2.081 40 0 GEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000257283427 206172212 /nfs/dbraw/zinc/17/22/12/206172212.db2.gz OYGNORLZUFRTJZ-OAQYLSRUSA-N 0 3 387.455 2.416 40 0 GEABHN CC1CCN(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)CC1 ZINC000257290689 206173673 /nfs/dbraw/zinc/17/36/73/206173673.db2.gz QDYIQLKROPZDNK-LPHOPBHVSA-N 0 3 391.487 2.029 40 0 GEABHN CCCn1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCC2)n1 ZINC000257300210 206175484 /nfs/dbraw/zinc/17/54/84/206175484.db2.gz RTJZTGMYJAJFNR-CGXNFDGLSA-N 0 3 398.507 2.068 40 0 GEABHN CNCC(=O)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257245976 206166761 /nfs/dbraw/zinc/16/67/61/206166761.db2.gz IRYDVEFHOHARDA-LLVKDONJSA-N 0 3 380.374 2.169 40 0 GEABHN O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 ZINC000257269647 206170225 /nfs/dbraw/zinc/17/02/25/206170225.db2.gz MQUBXQOGKIJGMP-NJDAHSKKSA-N 0 3 398.507 2.242 40 0 GEABHN CN1CCN([C@H]2CC[C@](CNC(=O)C3CC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257338234 206182102 /nfs/dbraw/zinc/18/21/02/206182102.db2.gz YWNLCZXULJSFDN-FUDKSRODSA-N 0 3 385.552 2.002 40 0 GEABHN Cc1ccccc1CN1CC[C@]2(C1)Cn1c(nnc1C(=O)NCC(C)C)CN2C ZINC000306140194 206205680 /nfs/dbraw/zinc/20/56/80/206205680.db2.gz UMNVIGPUXNBBAA-QFIPXVFZSA-N 0 3 396.539 2.062 40 0 GEABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3cccnc3)C2)cc1 ZINC000306141692 206207200 /nfs/dbraw/zinc/20/72/00/206207200.db2.gz WEDNOTHWPWUMCM-QFIPXVFZSA-N 0 3 389.459 2.256 40 0 GEABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1)N1CCCC1 ZINC000063528511 206219676 /nfs/dbraw/zinc/21/96/76/206219676.db2.gz NMNOEWHVPRLVRO-IBGZPJMESA-N 0 3 380.492 2.396 40 0 GEABHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096230514 136185303 /nfs/dbraw/zinc/18/53/03/136185303.db2.gz VERVRPYOAZYNPB-FQEVSTJZSA-N 0 3 384.505 2.291 40 0 GEABHN COc1ccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514288471 560035046 /nfs/dbraw/zinc/03/50/46/560035046.db2.gz BAVWCKGVOMDELX-FCHUYYIVSA-N 0 3 393.531 2.201 40 0 biogenic,in-vitro GEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccnc2)n1 ZINC000329010878 570212067 /nfs/dbraw/zinc/21/20/67/570212067.db2.gz MCXXGOFYPLDXPF-UHFFFAOYSA-N 0 3 384.871 2.459 40 0 GEABHN COc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c(OC)c1 ZINC000329048475 570214861 /nfs/dbraw/zinc/21/48/61/570214861.db2.gz UKSRBODXAKMARQ-UHFFFAOYSA-N 0 3 385.390 2.074 40 0 GEABHN Cc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2[C@H]2CCCN(C)C2)C1 ZINC000019752317 570215845 /nfs/dbraw/zinc/21/58/45/570215845.db2.gz PEIJIBWPKYUJDP-SFHVURJKSA-N 0 3 392.507 2.393 40 0 GEABHN COCCN1CC[C@@H](c2nnc3ccc(C(=O)Nc4ccc(OC)cc4)cn32)C1 ZINC000096267491 570227737 /nfs/dbraw/zinc/22/77/37/570227737.db2.gz WFFBEJFISLAALA-OAHLLOKOSA-N 0 3 395.463 2.426 40 0 GEABHN CN(Cc1ccc(OCCCO)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585270513 570239299 /nfs/dbraw/zinc/23/92/99/570239299.db2.gz YGSGGPPJNAIUBB-NRFANRHFSA-N 0 3 389.471 2.055 40 0 GEABHN Cc1ccc(CNC[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585283123 570251426 /nfs/dbraw/zinc/25/14/26/570251426.db2.gz CBRXJZYGKADPOX-PZJWPPBQSA-N 0 3 388.895 2.376 40 0 GEABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585284927 570254457 /nfs/dbraw/zinc/25/44/57/570254457.db2.gz AXVSCUQQCWJISI-NRFANRHFSA-N 0 3 392.496 2.058 40 0 GEABHN CN(CCc1ccccc1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286228 570255577 /nfs/dbraw/zinc/25/55/77/570255577.db2.gz XYHMQCBKZMFTBU-LADGPHEKSA-N 0 3 396.531 2.118 40 0 GEABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccc(F)cc2)[C@@H](O)C1 ZINC000585286320 570255655 /nfs/dbraw/zinc/25/56/55/570255655.db2.gz YWZNFTJBOBQUFS-ICSRJNTNSA-N 0 3 392.858 2.207 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)CC1 ZINC000100232410 570269861 /nfs/dbraw/zinc/26/98/61/570269861.db2.gz XVUUOIARIWWSBI-HRCADAONSA-N 0 3 388.512 2.081 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)CC1 ZINC000100232410 570269863 /nfs/dbraw/zinc/26/98/63/570269863.db2.gz XVUUOIARIWWSBI-HRCADAONSA-N 0 3 388.512 2.081 40 0 GEABHN COCCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133499 570618263 /nfs/dbraw/zinc/61/82/63/570618263.db2.gz BBJMGNLTRINTTN-UHFFFAOYSA-N 0 3 390.553 2.029 40 0 GEABHN CCn1cncc1CN1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012221328 570628061 /nfs/dbraw/zinc/62/80/61/570628061.db2.gz MQBQFHJEOYMLEY-QGZVFWFLSA-N 0 3 395.511 2.163 40 0 GEABHN O=C(NCc1ccccc1)NC1(C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 ZINC000004981842 570655878 /nfs/dbraw/zinc/65/58/78/570655878.db2.gz QWDYNIRLFVJXII-IBGZPJMESA-N 0 3 384.524 2.495 40 0 GEABHN CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715970 570779172 /nfs/dbraw/zinc/77/91/72/570779172.db2.gz XIGHYLITJSYASY-SFHVURJKSA-N 0 3 399.532 2.363 40 0 GEABHN O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585112571 570943104 /nfs/dbraw/zinc/94/31/04/570943104.db2.gz TURVNDOMBOUZDD-KRWDZBQOSA-N 0 3 378.473 2.254 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019211385 570960554 /nfs/dbraw/zinc/96/05/54/570960554.db2.gz FRMACHKFRLVNOR-MRXNPFEDSA-N 0 3 386.521 2.341 40 0 GEABHN Cc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)c1 ZINC000019234689 570965037 /nfs/dbraw/zinc/96/50/37/570965037.db2.gz QXBNYHFMBJQXMZ-QGZVFWFLSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)c1 ZINC000019234689 570965041 /nfs/dbraw/zinc/96/50/41/570965041.db2.gz QXBNYHFMBJQXMZ-QGZVFWFLSA-N 0 3 380.492 2.015 40 0 GEABHN Cn1nc(C2CC2)cc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019288816 570971023 /nfs/dbraw/zinc/97/10/23/570971023.db2.gz OAUKXKJCQMBBGG-UHFFFAOYSA-N 0 3 380.496 2.095 40 0 GEABHN O=C(c1cccc(Cn2cccn2)c1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019293276 570973294 /nfs/dbraw/zinc/97/32/94/570973294.db2.gz ZXMZKPNBRKKRQY-HXUWFJFHSA-N 0 3 388.475 2.344 40 0 GEABHN CCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019529376 570998833 /nfs/dbraw/zinc/99/88/33/570998833.db2.gz OFAGTOBTVLMCJO-OALUTQOASA-N 0 3 379.508 2.429 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(C)c1C ZINC000019556758 571003498 /nfs/dbraw/zinc/00/34/98/571003498.db2.gz XZYIUWJBSDJNMY-RDTXWAMCSA-N 0 3 396.539 2.286 40 0 GEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1 ZINC000019572734 571010733 /nfs/dbraw/zinc/01/07/33/571010733.db2.gz UPFIMGQOPHDEFV-INIZCTEOSA-N 0 3 382.512 2.293 40 0 GEABHN CCn1ccc(C(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)n2)n1 ZINC000019698259 571030613 /nfs/dbraw/zinc/03/06/13/571030613.db2.gz PEKJGTJVYAFYCB-HXUWFJFHSA-N 0 3 382.512 2.336 40 0 GEABHN CCn1ccc(C(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)n2)n1 ZINC000019698260 571030658 /nfs/dbraw/zinc/03/06/58/571030658.db2.gz PEKJGTJVYAFYCB-FQEVSTJZSA-N 0 3 382.512 2.336 40 0 GEABHN COc1c(C)cccc1CN1CCC(c2nnc3n2CCN(C(C)=O)CC3)CC1 ZINC000019709424 571034138 /nfs/dbraw/zinc/03/41/38/571034138.db2.gz AOWLMHQOYDWEKV-UHFFFAOYSA-N 0 3 397.523 2.379 40 0 GEABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 ZINC000019711608 571035683 /nfs/dbraw/zinc/03/56/83/571035683.db2.gz NVKAYPCPDBQZBR-KRWDZBQOSA-N 0 3 384.459 2.079 40 0 GEABHN COc1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cc1OC ZINC000328963504 571047318 /nfs/dbraw/zinc/04/73/18/571047318.db2.gz BPKSVSKKHVQIKA-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN O=C(Cn1nnc(-c2cccnc2)n1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000036752260 205021443 /nfs/dbraw/zinc/02/14/43/205021443.db2.gz SOXNLVUSIBYMOI-IBGZPJMESA-N 0 3 391.479 2.079 40 0 GEABHN C[C@@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000072373081 205336789 /nfs/dbraw/zinc/33/67/89/205336789.db2.gz USPWHYGACXACMI-KURKYZTESA-N 0 3 386.540 2.406 40 0 GEABHN C[C@H]1C[C@H](C)CN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373073 205338082 /nfs/dbraw/zinc/33/80/82/205338082.db2.gz LMOUBAQJRCJSPG-BZSNNMDCSA-N 0 3 386.540 2.264 40 0 GEABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NC[C@]3(C)CCCO3)c2C1 ZINC000072372167 205338416 /nfs/dbraw/zinc/33/84/16/205338416.db2.gz MEXZFNVOVZUJOS-NRFANRHFSA-N 0 3 387.528 2.171 40 0 GEABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391590 205341025 /nfs/dbraw/zinc/34/10/25/205341025.db2.gz CZVUJKSIOTVNTB-INIZCTEOSA-N 0 3 381.455 2.348 40 0 GEABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075611 205521499 /nfs/dbraw/zinc/52/14/99/205521499.db2.gz NUORUXQKXIGIMW-MBSDFSHPSA-N 0 3 396.535 2.427 40 0 GEABHN O=C(Cc1cccc(O)c1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257210295 206159880 /nfs/dbraw/zinc/15/98/80/206159880.db2.gz BTZMBORTNMNFQI-LJQANCHMSA-N 0 3 382.451 2.409 40 0 GEABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000257216725 206161833 /nfs/dbraw/zinc/16/18/33/206161833.db2.gz CVVNIDBYYPDBOY-QFIPXVFZSA-N 0 3 399.491 2.285 40 0 GEABHN C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cc(=O)[n-]c(N)n1 ZINC000257314096 206177748 /nfs/dbraw/zinc/17/77/48/206177748.db2.gz UVHIRMIQCOMJQI-GBGLDMQLSA-N 0 3 393.491 2.121 40 0 GEABHN CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(OCCN3CCCC3)cc2)[C@H]1O ZINC000257251504 206165823 /nfs/dbraw/zinc/16/58/23/206165823.db2.gz JRAGMVDSGNTWHR-VAMGGRTRSA-N 0 3 376.497 2.162 40 0 GEABHN COc1ccccc1[C@@H]1CNCCN1CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000257246295 206165904 /nfs/dbraw/zinc/16/59/04/206165904.db2.gz ITMKQFKLCVCYTC-IBGZPJMESA-N 0 3 379.464 2.465 40 0 GEABHN COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000257248727 206166183 /nfs/dbraw/zinc/16/61/83/206166183.db2.gz JEXOEGXPAKWQFF-JOCHJYFZSA-N 0 3 399.491 2.285 40 0 GEABHN COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000257248727 206166186 /nfs/dbraw/zinc/16/61/86/206166186.db2.gz JEXOEGXPAKWQFF-JOCHJYFZSA-N 0 3 399.491 2.285 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccsc4)C[C@@H]32)cc1 ZINC000306127406 206199144 /nfs/dbraw/zinc/19/91/44/206199144.db2.gz FYAMFTZUHMUBKD-ZWKOTPCHSA-N 0 3 394.500 2.052 40 0 GEABHN CC(C)(C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccoc3)CC1)COC2 ZINC000306131670 206201380 /nfs/dbraw/zinc/20/13/80/206201380.db2.gz KLQVPSBTAHXZLR-UHFFFAOYSA-N 0 3 387.484 2.212 40 0 GEABHN COc1ccccc1CN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290110 560030699 /nfs/dbraw/zinc/03/06/99/560030699.db2.gz TVWWXTADVJXGQW-FGZHOGPDSA-N 0 3 393.531 2.201 40 0 biogenic,in-vitro GEABHN COc1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c(OC)c1 ZINC000328993808 570211217 /nfs/dbraw/zinc/21/12/17/570211217.db2.gz JCLWGHZRAOPZIV-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN CN(C)CCNC(=O)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144488 570213413 /nfs/dbraw/zinc/21/34/13/570213413.db2.gz QMBPYHGQFHRXCX-OFNKIYASSA-N 0 3 393.487 2.052 40 0 GEABHN C[C@H]1CCc2nc(NC(=O)C3CN(C(=O)C4CCN(C)CC4)C3)sc2C1 ZINC000019747495 570213944 /nfs/dbraw/zinc/21/39/44/570213944.db2.gz MBNCQTQGPUSJRF-LBPRGKRZSA-N 0 3 376.526 2.007 40 0 GEABHN COc1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc1OC ZINC000329042620 570214450 /nfs/dbraw/zinc/21/44/50/570214450.db2.gz SPFKUPBAVUTMFL-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN CN(C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)n1 ZINC000329055456 570215646 /nfs/dbraw/zinc/21/56/46/570215646.db2.gz VOKICEOSTXCVKA-UHFFFAOYSA-N 0 3 384.434 2.246 40 0 GEABHN COCCN1CC[C@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn32)C1 ZINC000096267480 570227618 /nfs/dbraw/zinc/22/76/18/570227618.db2.gz YXGNJJGINVNLHS-INIZCTEOSA-N 0 3 397.454 2.234 40 0 GEABHN Cc1ccc(F)c(NC(=O)CN2[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]2c2ccccc2)c1 ZINC000585262107 570229811 /nfs/dbraw/zinc/22/98/11/570229811.db2.gz AUBHYLMRRUJUHH-DYXWJJEUSA-N 0 3 398.482 2.304 40 0 GEABHN C[C@]1(C(=O)NCCO)CCCN1Cc1cccc(OCCN2CCCCC2)c1 ZINC000585272876 570241589 /nfs/dbraw/zinc/24/15/89/570241589.db2.gz NGXUHXQUSYFBCQ-JOCHJYFZSA-N 0 3 389.540 2.014 40 0 GEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(O)cc1 ZINC000020636767 570273726 /nfs/dbraw/zinc/27/37/26/570273726.db2.gz JGHUUAAZDLOCKT-RTBURBONSA-N 0 3 393.443 2.157 40 0 GEABHN C[C@@H]1CN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000022588527 570322225 /nfs/dbraw/zinc/32/22/25/570322225.db2.gz IVGNNRSXOKVDQE-LJQANCHMSA-N 0 3 382.504 2.492 40 0 GEABHN CC[C@H](CO)NCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540343 570760511 /nfs/dbraw/zinc/76/05/11/570760511.db2.gz KGXJAHKIZCXKHZ-QGZVFWFLSA-N 0 3 397.479 2.419 40 0 GEABHN CN(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000010111656 570781849 /nfs/dbraw/zinc/78/18/49/570781849.db2.gz NKINYWLARADPDK-UHFFFAOYSA-N 0 3 387.933 2.196 40 0 GEABHN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)cc1 ZINC000659258816 570790354 /nfs/dbraw/zinc/79/03/54/570790354.db2.gz VVNKKAWPTXZECB-QGZVFWFLSA-N 0 3 399.535 2.349 40 0 GEABHN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)cc1 ZINC000659258815 570790560 /nfs/dbraw/zinc/79/05/60/570790560.db2.gz VVNKKAWPTXZECB-KRWDZBQOSA-N 0 3 399.535 2.349 40 0 GEABHN COc1ccc2nc(CN3CCC(O)(Cn4nc(C)ccc4=O)CC3)ccc2c1 ZINC000019131362 570958519 /nfs/dbraw/zinc/95/85/19/570958519.db2.gz GMBFMMOQZXYLHW-UHFFFAOYSA-N 0 3 394.475 2.136 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019211387 570960528 /nfs/dbraw/zinc/96/05/28/570960528.db2.gz FRMACHKFRLVNOR-INIZCTEOSA-N 0 3 386.521 2.341 40 0 GEABHN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019457724 570987688 /nfs/dbraw/zinc/98/76/88/570987688.db2.gz WBQBDFJTFGSZGC-FOIQADDNSA-N 0 3 390.491 2.472 40 0 GEABHN CCOc1ncccc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019531525 570998686 /nfs/dbraw/zinc/99/86/86/570998686.db2.gz RZSQKTOURBNXPZ-UHFFFAOYSA-N 0 3 381.480 2.278 40 0 GEABHN CCOc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019532871 570999159 /nfs/dbraw/zinc/99/91/59/570999159.db2.gz XTPISIJWIOLZTB-KRWDZBQOSA-N 0 3 380.492 2.470 40 0 GEABHN COc1cc2sc(NC(=O)[C@H]3CCCN(CCC(N)=O)C3)nc2cc1Cl ZINC000019550661 571000797 /nfs/dbraw/zinc/00/07/97/571000797.db2.gz GYIJNRVAHYMVMZ-JTQLQIEISA-N 0 3 396.900 2.484 40 0 GEABHN COc1cccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1OC ZINC000019567611 571008903 /nfs/dbraw/zinc/00/89/03/571008903.db2.gz OKHKEBXOYUMIMN-OAHLLOKOSA-N 0 3 384.480 2.377 40 0 GEABHN COc1cccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1OC ZINC000019567611 571008905 /nfs/dbraw/zinc/00/89/05/571008905.db2.gz OKHKEBXOYUMIMN-OAHLLOKOSA-N 0 3 384.480 2.377 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)n1 ZINC000019574070 571010982 /nfs/dbraw/zinc/01/09/82/571010982.db2.gz MPEBGUZCRIVPQG-KRWDZBQOSA-N 0 3 382.512 2.122 40 0 GEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019583081 571013906 /nfs/dbraw/zinc/01/39/06/571013906.db2.gz OAISVDHRCZNZOF-INIZCTEOSA-N 0 3 396.470 2.086 40 0 GEABHN COc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)c1 ZINC000019590255 571016897 /nfs/dbraw/zinc/01/68/97/571016897.db2.gz LHYJOTMBGNWFTJ-MRXNPFEDSA-N 0 3 396.491 2.127 40 0 GEABHN COc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)c1 ZINC000019590255 571016898 /nfs/dbraw/zinc/01/68/98/571016898.db2.gz LHYJOTMBGNWFTJ-MRXNPFEDSA-N 0 3 396.491 2.127 40 0 GEABHN CN1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)ncc2C1 ZINC000019590411 571018191 /nfs/dbraw/zinc/01/81/91/571018191.db2.gz MJXIQEDGPBIKPF-HNNXBMFYSA-N 0 3 384.455 2.389 40 0 GEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC(C)(C)C)C1)C2=O ZINC000019699890 571030925 /nfs/dbraw/zinc/03/09/25/571030925.db2.gz VRALZRXWHDSZGG-MRXNPFEDSA-N 0 3 392.544 2.208 40 0 GEABHN CN1CCC(N(Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019715719 571037650 /nfs/dbraw/zinc/03/76/50/571037650.db2.gz ANLIIRNRDXKZOV-UHFFFAOYSA-N 0 3 381.524 2.410 40 0 GEABHN COCCN1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O ZINC000096037184 571096819 /nfs/dbraw/zinc/09/68/19/571096819.db2.gz LNMLVGPKBPTPSY-UHFFFAOYSA-N 0 3 394.537 2.208 40 0 GEABHN CCn1c2ccc(S(=O)(=O)NCCCN3CCCCC3)cc2sc1=O ZINC000225692423 532487206 /nfs/dbraw/zinc/48/72/06/532487206.db2.gz UJCMVXLUCJZHGW-UHFFFAOYSA-N 0 3 383.539 2.237 40 0 GEABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242538938 532518039 /nfs/dbraw/zinc/51/80/39/532518039.db2.gz JIRVDPWRCFPHGZ-ZACQAIPSSA-N 0 3 396.306 2.326 40 0 GEABHN COc1ccc2c(c1)C[C@H](CN1CCC3(CC1)C(=O)NCN3c1ccccc1)O2 ZINC000001868667 206393833 /nfs/dbraw/zinc/39/38/33/206393833.db2.gz QSTYMRMEJNQSJW-HXUWFJFHSA-N 0 3 393.487 2.427 40 0 GEABHN Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(CCO)CC3)C=C2C)o1 ZINC000035442618 206690845 /nfs/dbraw/zinc/69/08/45/206690845.db2.gz AORZHWVQPWCCCB-UFYCRDLUSA-N 0 3 376.545 2.385 40 0 biogenic,in-vitro GEABHN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019288820 207113017 /nfs/dbraw/zinc/11/30/17/207113017.db2.gz IJSOGXYOFHKQDL-HNNXBMFYSA-N 0 3 380.496 2.095 40 0 GEABHN O=S(=O)(c1cccc(Cl)c1)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019293466 207115727 /nfs/dbraw/zinc/11/57/27/207115727.db2.gz UOWMLANPIOVQTR-UHFFFAOYSA-N 0 3 392.912 2.344 40 0 GEABHN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019345913 207117349 /nfs/dbraw/zinc/11/73/49/207117349.db2.gz WZAJYWJTDNOYMH-DJJJIMSYSA-N 0 3 398.894 2.485 40 0 GEABHN C[C@@H](CC(=O)N(C[C@@H]1CCCO1)C1CCN(C)CC1)n1nnc2ccccc21 ZINC000019455079 207123602 /nfs/dbraw/zinc/12/36/02/207123602.db2.gz LNNRUHNVYOAJHQ-WMZOPIPTSA-N 0 3 385.512 2.484 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556853 207133477 /nfs/dbraw/zinc/13/34/77/207133477.db2.gz ZFZHFZZIPHPEBH-BFUOFWGJSA-N 0 3 382.512 2.244 40 0 GEABHN CC(C)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 ZINC000019699411 207150036 /nfs/dbraw/zinc/15/00/36/207150036.db2.gz ACHZPZFRLBLVIE-UHFFFAOYSA-N 0 3 398.507 2.086 40 0 GEABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCCC4)C3)C1 ZINC000019588624 207140688 /nfs/dbraw/zinc/14/06/88/207140688.db2.gz DROOMQAJANMXFF-HNNXBMFYSA-N 0 3 394.523 2.476 40 0 GEABHN COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590417 207141544 /nfs/dbraw/zinc/14/15/44/207141544.db2.gz TYOACNGBMBYMOY-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN COc1cc(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)on1 ZINC000019590284 207141979 /nfs/dbraw/zinc/14/19/79/207141979.db2.gz HLRQJCOTEQRISI-QGZVFWFLSA-N 0 3 385.468 2.148 40 0 GEABHN COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)c1 ZINC000019588602 207142457 /nfs/dbraw/zinc/14/24/57/207142457.db2.gz COHLWOLGBLMMMC-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccc(CCC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590599 207142531 /nfs/dbraw/zinc/14/25/31/207142531.db2.gz ZYQBFTPJPFGLSQ-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590422 207142562 /nfs/dbraw/zinc/14/25/62/207142562.db2.gz UGPYDHPXHZKCHV-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CC[C@H]1CCCO1)CC2 ZINC000019711070 207151829 /nfs/dbraw/zinc/15/18/29/207151829.db2.gz QICSTTJKQZODGA-MRXNPFEDSA-N 0 3 387.528 2.171 40 0 GEABHN CN1CCC(c2nnc3n2CCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000019711239 207151852 /nfs/dbraw/zinc/15/18/52/207151852.db2.gz UFBIPAVOQWHYAM-UHFFFAOYSA-N 0 3 376.464 2.292 40 0 GEABHN O=C(c1cccc(N2CCCCC2)c1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710772 207152008 /nfs/dbraw/zinc/15/20/08/207152008.db2.gz URXWNLVGUCFARQ-IBGZPJMESA-N 0 3 394.523 2.391 40 0 GEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CC[C@@H]1CCCO1)CC2 ZINC000019711069 207152755 /nfs/dbraw/zinc/15/27/55/207152755.db2.gz QICSTTJKQZODGA-INIZCTEOSA-N 0 3 387.528 2.171 40 0 GEABHN C[C@@H]1CCc2nc(NC(=O)C3CN(C(=O)C4CCN(C)CC4)C3)sc2C1 ZINC000019747494 207157656 /nfs/dbraw/zinc/15/76/56/207157656.db2.gz MBNCQTQGPUSJRF-GFCCVEGCSA-N 0 3 376.526 2.007 40 0 GEABHN COc1ccc([C@H](NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)C2CC2)cc1 ZINC000019747586 207157678 /nfs/dbraw/zinc/15/76/78/207157678.db2.gz KXJVYWRLORNVEH-HXUWFJFHSA-N 0 3 385.508 2.063 40 0 GEABHN Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2CC(=O)N(C)C)CC1 ZINC000072354283 208000843 /nfs/dbraw/zinc/00/08/43/208000843.db2.gz CCIAWMPSIBDUAC-QGZVFWFLSA-N 0 3 376.501 2.086 40 0 GEABHN CN(C)CCNC(=O)[C@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144486 208272243 /nfs/dbraw/zinc/27/22/43/208272243.db2.gz QMBPYHGQFHRXCX-NFBKMPQASA-N 0 3 393.487 2.052 40 0 GEABHN CN(C)CCNC(=O)c1cc(-c2cnc(NCc3ccccc3)nc2)cn1C ZINC000096147595 208273344 /nfs/dbraw/zinc/27/33/44/208273344.db2.gz GJCULWKZQVDXCT-UHFFFAOYSA-N 0 3 378.480 2.386 40 0 GEABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075605 208257696 /nfs/dbraw/zinc/25/76/96/208257696.db2.gz VVJSIFHCCMJGCB-FDDCHVKYSA-N 0 3 396.535 2.427 40 0 GEABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056131 208257832 /nfs/dbraw/zinc/25/78/32/208257832.db2.gz QUKXZPYAJDFRDD-UGKGYDQZSA-N 0 3 379.508 2.283 40 0 GEABHN COCCN(C)c1nc(C2CCN(Cc3cnn(C)c3)CC2)cc2c1ncn2C ZINC000096099960 208263272 /nfs/dbraw/zinc/26/32/72/208263272.db2.gz CIQKMSQVIFYXIR-UHFFFAOYSA-N 0 3 397.527 2.164 40 0 GEABHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)cc1 ZINC000096263252 208297019 /nfs/dbraw/zinc/29/70/19/208297019.db2.gz HVSUWCWJYWJMAH-IBGZPJMESA-N 0 3 398.507 2.306 40 0 GEABHN Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)n1 ZINC000306132649 209101876 /nfs/dbraw/zinc/10/18/76/209101876.db2.gz LOIQLBUXBIDDAY-UHFFFAOYSA-N 0 3 382.512 2.348 40 0 GEABHN CC(C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CCN(Cc3ccccc3)C1)CC2 ZINC000306126809 209097351 /nfs/dbraw/zinc/09/73/51/209097351.db2.gz FFVUHIWXWGKSGL-QFIPXVFZSA-N 0 3 380.492 2.177 40 0 GEABHN O=C(c1ccc(OCCN2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257326572 209076795 /nfs/dbraw/zinc/07/67/95/209076795.db2.gz WXRPZRYRBZPBJS-SFTDATJTSA-N 0 3 398.507 2.196 40 0 GEABHN Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CCN(C)C)c4nccnc34)C2)c1 ZINC000072391693 222248421 /nfs/dbraw/zinc/24/84/21/222248421.db2.gz LGBOUEPGOUDGGT-GOSISDBHSA-N 0 3 392.507 2.255 40 0 GEABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514289858 560031224 /nfs/dbraw/zinc/03/12/24/560031224.db2.gz PJYCKZNTIHZKSB-FCHUYYIVSA-N 0 3 395.522 2.374 40 0 biogenic,in-vitro GEABHN COCCOc1ncccc1-c1noc([C@@H]2CCCN2C2CCN(C)CC2)n1 ZINC000035424996 560080833 /nfs/dbraw/zinc/08/08/33/560080833.db2.gz MWWFMMBRJATCDZ-KRWDZBQOSA-N 0 3 387.484 2.388 40 0 biogenic,in-vitro GEABHN CN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000113946171 570335283 /nfs/dbraw/zinc/33/52/83/570335283.db2.gz MVCFFBPUTRIFIF-UHFFFAOYSA-N 0 3 393.534 2.397 40 0 GEABHN Cc1cccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1C ZINC000113962445 570337059 /nfs/dbraw/zinc/33/70/59/570337059.db2.gz PMMNETXANYESNB-UHFFFAOYSA-N 0 3 381.542 2.060 40 0 GEABHN CCc1oncc1C(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1cccnc1)CO2 ZINC000575405078 570521629 /nfs/dbraw/zinc/52/16/29/570521629.db2.gz RPTMYXSJJVMWFD-KRWDZBQOSA-N 0 3 384.480 2.385 40 0 GEABHN COc1cccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000012124760 570613085 /nfs/dbraw/zinc/61/30/85/570613085.db2.gz OWDBXMRGIWTHPP-RRMPHLOHSA-N 0 3 385.464 2.232 40 0 GEABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)ccc21 ZINC000004969237 570730468 /nfs/dbraw/zinc/73/04/68/570730468.db2.gz XHZDEBUYNIZULV-INIZCTEOSA-N 0 3 393.553 2.386 40 0 GEABHN NC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216515 570816926 /nfs/dbraw/zinc/81/69/26/570816926.db2.gz MLALTAJACZOZPE-PMPSAXMXSA-N 0 3 381.295 2.045 40 0 GEABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000585109740 570938011 /nfs/dbraw/zinc/93/80/11/570938011.db2.gz NLEFZVNWHKBXJD-JAXLGGSGSA-N 0 3 381.476 2.131 40 0 GEABHN CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)n1 ZINC000328967217 571047999 /nfs/dbraw/zinc/04/79/99/571047999.db2.gz CRDFCPUACOPBLX-GFCCVEGCSA-N 0 3 375.498 2.206 40 0 GEABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635370 291115317 /nfs/dbraw/zinc/11/53/17/291115317.db2.gz PJWQVFVQFHXIPS-SCTDSRPQSA-N 0 3 398.507 2.036 40 0 biogenic,in-vitro GEABHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000225682578 532487590 /nfs/dbraw/zinc/48/75/90/532487590.db2.gz DUGWWWDDBHHOKO-CYBMUJFWSA-N 0 3 383.539 2.000 40 0 GEABHN CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC ZINC000242400246 532519175 /nfs/dbraw/zinc/51/91/75/532519175.db2.gz ARWMFBNFXPVULY-RRFJBIMHSA-N 0 3 376.316 2.331 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242592359 532519241 /nfs/dbraw/zinc/51/92/41/532519241.db2.gz ORHPMQATDKFAGE-VBQJREDUSA-N 0 3 388.917 2.463 40 0 GEABHN COc1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cc1F ZINC000329015925 206241789 /nfs/dbraw/zinc/24/17/89/206241789.db2.gz NDWSRJRCCIDBJI-UHFFFAOYSA-N 0 3 382.443 2.247 40 0 GEABHN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019119044 207102738 /nfs/dbraw/zinc/10/27/38/207102738.db2.gz BLXSFJVYLYXGIS-DOMZBBRYSA-N 0 3 390.438 2.490 40 0 GEABHN Cc1ccn(C[C@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1 ZINC000019237993 207111242 /nfs/dbraw/zinc/11/12/42/207111242.db2.gz LBYOUHWFFBIUEP-HNNXBMFYSA-N 0 3 382.512 2.012 40 0 GEABHN Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019237982 207111308 /nfs/dbraw/zinc/11/13/08/207111308.db2.gz CYDOKEGCOMEVOM-NVXWUHKLSA-N 0 3 382.512 2.012 40 0 GEABHN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019288819 207112479 /nfs/dbraw/zinc/11/24/79/207112479.db2.gz IJSOGXYOFHKQDL-OAHLLOKOSA-N 0 3 380.496 2.095 40 0 GEABHN O=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019335123 207117034 /nfs/dbraw/zinc/11/70/34/207117034.db2.gz WYFMXKODFNTDHJ-KRWDZBQOSA-N 0 3 376.457 2.177 40 0 GEABHN CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019523566 207128192 /nfs/dbraw/zinc/12/81/92/207128192.db2.gz JASRDWKQRXYGAB-YJBOKZPZSA-N 0 3 382.512 2.271 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c1 ZINC000019551326 207130395 /nfs/dbraw/zinc/13/03/95/207130395.db2.gz HAFOSKQABJUWEF-UHFFFAOYSA-N 0 3 396.491 2.088 40 0 GEABHN CC(C)Oc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019450676 207121255 /nfs/dbraw/zinc/12/12/55/207121255.db2.gz YDYALHXIQIKWOR-UHFFFAOYSA-N 0 3 398.507 2.407 40 0 GEABHN CC(C)Oc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019450676 207121257 /nfs/dbraw/zinc/12/12/57/207121257.db2.gz YDYALHXIQIKWOR-UHFFFAOYSA-N 0 3 398.507 2.407 40 0 GEABHN CC(C)NC(=O)Cn1cc(CN2CCN(C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000019449935 207121351 /nfs/dbraw/zinc/12/13/51/207121351.db2.gz NPYQPPBMDHXBEI-FQEVSTJZSA-N 0 3 398.551 2.463 40 0 GEABHN COc1cccc2c1OC[C@H](C(=O)N1CCc3nc([C@@H]4CCCN4)ncc3C1)C2 ZINC000019568311 207135908 /nfs/dbraw/zinc/13/59/08/207135908.db2.gz PSUXWZFXWIHUBO-QAPCUYQASA-N 0 3 394.475 2.046 40 0 GEABHN Cc1cc(=O)n(CC(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)c2ccccc12 ZINC000019566456 207136105 /nfs/dbraw/zinc/13/61/05/207136105.db2.gz ZWRCPHDKNRBKAU-IBGZPJMESA-N 0 3 397.519 2.412 40 0 GEABHN COc1cccc(OC)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019566879 207136992 /nfs/dbraw/zinc/13/69/92/207136992.db2.gz HNYHMUQUCYBMDO-AWEZNQCLSA-N 0 3 382.464 2.159 40 0 GEABHN COc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019554522 207132351 /nfs/dbraw/zinc/13/23/51/207132351.db2.gz DVVNHRLVUZIVEX-QGZVFWFLSA-N 0 3 380.492 2.470 40 0 GEABHN COc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(OC)c1 ZINC000019551920 207132383 /nfs/dbraw/zinc/13/23/83/207132383.db2.gz WZXYSKSTVRWISW-CQSZACIVSA-N 0 3 382.464 2.159 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)CC3)C1 ZINC000019709216 207150426 /nfs/dbraw/zinc/15/04/26/207150426.db2.gz ANVCEUCMRUIYQS-MRXNPFEDSA-N 0 3 392.507 2.196 40 0 GEABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)COc2ccccc2F)C3)C1 ZINC000019588592 207142002 /nfs/dbraw/zinc/14/20/02/207142002.db2.gz ONSRAVOSVVBDQE-OAHLLOKOSA-N 0 3 384.455 2.389 40 0 GEABHN COc1ccc(C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 ZINC000019590639 207142052 /nfs/dbraw/zinc/14/20/52/207142052.db2.gz QBZSTJZNULSIMA-AWEZNQCLSA-N 0 3 382.464 2.111 40 0 GEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019590252 207142685 /nfs/dbraw/zinc/14/26/85/207142685.db2.gz UXXJJNBHACLCJW-HNNXBMFYSA-N 0 3 384.455 2.258 40 0 GEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019590252 207142688 /nfs/dbraw/zinc/14/26/88/207142688.db2.gz UXXJJNBHACLCJW-HNNXBMFYSA-N 0 3 384.455 2.258 40 0 GEABHN COCCOc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1OC ZINC000019593760 207142969 /nfs/dbraw/zinc/14/29/69/207142969.db2.gz SNRPWSAMWKZKHA-LJQANCHMSA-N 0 3 398.507 2.493 40 0 GEABHN Cc1nccn1C[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019658063 207146053 /nfs/dbraw/zinc/14/60/53/207146053.db2.gz WLOSGNSKHCDRRC-LJQANCHMSA-N 0 3 399.514 2.391 40 0 GEABHN Cc1cccc(C)c1OCC(=O)N1CCn2c(nnc2[C@H]2CCCN(C)C2)C1 ZINC000019710961 207151639 /nfs/dbraw/zinc/15/16/39/207151639.db2.gz JGLRLVFYJXXFMS-KRWDZBQOSA-N 0 3 383.496 2.125 40 0 GEABHN CCOc1ccc(CC(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709503 207152196 /nfs/dbraw/zinc/15/21/96/207152196.db2.gz GJFHQCKADBAJOJ-SFHVURJKSA-N 0 3 397.523 2.113 40 0 GEABHN Cn1c(C(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)cc2cc(F)ccc21 ZINC000019711276 207152283 /nfs/dbraw/zinc/15/22/83/207152283.db2.gz MLQPVLIWUQPVLC-UHFFFAOYSA-N 0 3 396.470 2.374 40 0 GEABHN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710700 207152789 /nfs/dbraw/zinc/15/27/89/207152789.db2.gz PVZJDCCNBDIXKN-INIZCTEOSA-N 0 3 396.426 2.195 40 0 GEABHN COc1ccc([C@@H](NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)C2CC2)cc1 ZINC000019747585 207158151 /nfs/dbraw/zinc/15/81/51/207158151.db2.gz KXJVYWRLORNVEH-FQEVSTJZSA-N 0 3 385.508 2.063 40 0 GEABHN COCCNC(=O)c1cc([C@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762692 207160954 /nfs/dbraw/zinc/16/09/54/207160954.db2.gz LHSSJCNBLCKGJB-INIZCTEOSA-N 0 3 393.491 2.334 40 0 GEABHN O=C1CCCN1c1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1 ZINC000028808624 207347553 /nfs/dbraw/zinc/34/75/53/207347553.db2.gz MKTAQZBFUCJRKF-UHFFFAOYSA-N 0 3 379.526 2.358 40 0 GEABHN CN(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030752724 207374329 /nfs/dbraw/zinc/37/43/29/207374329.db2.gz DYIQLVOZCLMTIL-UHFFFAOYSA-N 0 3 381.885 2.432 40 0 GEABHN Cc1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1N1CCCC1=O ZINC000030871964 207378051 /nfs/dbraw/zinc/37/80/51/207378051.db2.gz SIYLQDMNDFYYPB-UHFFFAOYSA-N 0 3 379.526 2.276 40 0 GEABHN CSc1ccc([C@@H]2NC(=NC[C@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104138233 533002919 /nfs/dbraw/zinc/00/29/19/533002919.db2.gz MVTLZSLAZSQWFV-RHSMWYFYSA-N 0 3 385.493 2.371 40 0 GEABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NC[C@@]3(C)CCCO3)c2C1 ZINC000072372168 208006410 /nfs/dbraw/zinc/00/64/10/208006410.db2.gz MEXZFNVOVZUJOS-OAQYLSRUSA-N 0 3 387.528 2.171 40 0 GEABHN CN1CCCN(C(=O)c2ccc3ccc(N4CCN(CC5CC5)CC4)n3c2)CC1 ZINC000096155927 208279356 /nfs/dbraw/zinc/27/93/56/208279356.db2.gz GOOZORCLZBJEOX-UHFFFAOYSA-N 0 3 395.551 2.249 40 0 GEABHN CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036357 208253946 /nfs/dbraw/zinc/25/39/46/208253946.db2.gz FNGDFROSNXNFEA-OAQYLSRUSA-N 0 3 397.548 2.489 40 0 GEABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096036815 208255104 /nfs/dbraw/zinc/25/51/04/208255104.db2.gz XBQRUGJQTAJMEV-QGZVFWFLSA-N 0 3 386.521 2.457 40 0 GEABHN CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cnn(C)c1)CC2 ZINC000096260592 208296215 /nfs/dbraw/zinc/29/62/15/208296215.db2.gz QXSYJKXVVQKNAD-UHFFFAOYSA-N 0 3 396.539 2.376 40 0 GEABHN Cc1ncsc1CN1CCC2(CCc3nnc(C(=O)NC4CC4)n3C2)CC1 ZINC000306140202 209105244 /nfs/dbraw/zinc/10/52/44/209105244.db2.gz UMSPABBVCKDRBR-UHFFFAOYSA-N 0 3 386.525 2.164 40 0 GEABHN Cn1cccc1CN1CCC2(CC1)CN(C)C[C@H](C(=O)NCc1ccccc1)O2 ZINC000306137412 209104507 /nfs/dbraw/zinc/10/45/07/209104507.db2.gz QVQJDIIPGYUCJX-OAQYLSRUSA-N 0 3 396.535 2.007 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1CC[C@H]1CN(Cc3ccco3)C[C@H]21 ZINC000306127142 209097868 /nfs/dbraw/zinc/09/78/68/209097868.db2.gz FPJGOIKLVHSQPR-WMZOPIPTSA-N 0 3 377.448 2.420 40 0 GEABHN O=C(c1ccc(=O)[nH]c1)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257201033 209053838 /nfs/dbraw/zinc/05/38/38/209053838.db2.gz AFWDMKFABGQBKM-QFIPXVFZSA-N 0 3 381.476 2.203 40 0 GEABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000257216724 209056945 /nfs/dbraw/zinc/05/69/45/209056945.db2.gz CVVNIDBYYPDBOY-JOCHJYFZSA-N 0 3 399.491 2.285 40 0 GEABHN CNCC(=O)N1CCC(CCc2ccnc(Nc3cc(NC)ncn3)c2)CC1 ZINC000257217696 209057940 /nfs/dbraw/zinc/05/79/40/209057940.db2.gz DAEWESXOXYNCOU-UHFFFAOYSA-N 0 3 383.500 2.048 40 0 GEABHN CO[C@@H]1CCCC[C@@H](NC(=O)c2cccc(OCCN3CCCC3)c2)[C@H]1O ZINC000257269661 209064305 /nfs/dbraw/zinc/06/43/05/209064305.db2.gz MQVKKYXKWCMKGL-VAMGGRTRSA-N 0 3 376.497 2.210 40 0 GEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000257262368 209062529 /nfs/dbraw/zinc/06/25/29/209062529.db2.gz LLDLWZPHTFPQCF-JOCHJYFZSA-N 0 3 397.523 2.173 40 0 GEABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257297734 209071481 /nfs/dbraw/zinc/07/14/81/209071481.db2.gz RIQIHUUQZXEIKI-FQEVSTJZSA-N 0 3 394.519 2.337 40 0 GEABHN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCN(C)CC1 ZINC000219163919 136204139 /nfs/dbraw/zinc/20/41/39/136204139.db2.gz TWILQGUDXFVZQH-UHFFFAOYSA-N 0 3 399.516 2.381 40 0 GEABHN COc1ccccc1CN1C[C@@H]2CC[C@@](O)(c3cnc(OC)nc3OC)[C@@H]2C1 ZINC000072392578 222248522 /nfs/dbraw/zinc/24/85/22/222248522.db2.gz MTBWRQJNNLZIOO-AVBTWRTFSA-N 0 3 385.464 2.232 40 0 GEABHN COc1ccc(CN[C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)cc1 ZINC000072321889 560077311 /nfs/dbraw/zinc/07/73/11/560077311.db2.gz FZIMBKXTHCNMFS-JOCBIADPSA-N 0 3 382.382 2.477 40 0 biogenic,in-vitro GEABHN O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000585262306 570229918 /nfs/dbraw/zinc/22/99/18/570229918.db2.gz QWOLCGHQLPVPKP-SCPDWHHUSA-N 0 3 380.488 2.391 40 0 GEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@]2(N)CN)cc1 ZINC000218228385 570328262 /nfs/dbraw/zinc/32/82/62/570328262.db2.gz KQFNUBBSMLSZKG-ULQDDVLXSA-N 0 3 395.322 2.353 40 0 GEABHN Cn1ccnc1COc1ccc(CNC[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000257285718 570488690 /nfs/dbraw/zinc/48/86/90/570488690.db2.gz PILMKUZDIKICES-QFIPXVFZSA-N 0 3 393.491 2.125 40 0 GEABHN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000224426285 570512664 /nfs/dbraw/zinc/51/26/64/570512664.db2.gz IYVWFLCMSKNNNW-UHFFFAOYSA-N 0 3 389.521 2.107 40 0 GEABHN CCc1nc(N2CCOCC2)ncc1C(=O)NC(C)(C)CN1CCC[C@@H](C)C1 ZINC000012203255 570624852 /nfs/dbraw/zinc/62/48/52/570624852.db2.gz MLKAAXMRWRMEMG-MRXNPFEDSA-N 0 3 389.544 2.116 40 0 GEABHN O=C1CCc2cc(S(=O)(=O)NC[C@H]3CCN(Cc4ccccc4)C3)ccc2N1 ZINC000012362260 570646106 /nfs/dbraw/zinc/64/61/06/570646106.db2.gz MGDVKJBJWWPALH-QGZVFWFLSA-N 0 3 399.516 2.372 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585104028 570929542 /nfs/dbraw/zinc/92/95/42/570929542.db2.gz KREWQSVFODBLGO-ROUUACIJSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585104028 570929546 /nfs/dbraw/zinc/92/95/46/570929546.db2.gz KREWQSVFODBLGO-ROUUACIJSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104025 570929612 /nfs/dbraw/zinc/92/96/12/570929612.db2.gz KREWQSVFODBLGO-QZTJIDSGSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104025 570929615 /nfs/dbraw/zinc/92/96/15/570929615.db2.gz KREWQSVFODBLGO-QZTJIDSGSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc(CC(=O)N2CCc3nc4n(c(=O)c3C2)[C@H](CN(C)C)CCC4)cc1 ZINC000585110178 570939006 /nfs/dbraw/zinc/93/90/06/570939006.db2.gz SOABCSGVUFMZCL-SFHVURJKSA-N 0 3 394.519 2.118 40 0 GEABHN COCCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1Cl ZINC000257234735 222760447 /nfs/dbraw/zinc/76/04/47/222760447.db2.gz GUWWMNSAWBXFCO-APWZRJJASA-N 0 3 395.931 2.286 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218622897 532484403 /nfs/dbraw/zinc/48/44/03/532484403.db2.gz ZTGXNBPVGAEIBE-CKEIUWERSA-N 0 3 388.917 2.463 40 0 GEABHN CN1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000306143326 209108664 /nfs/dbraw/zinc/10/86/64/209108664.db2.gz XYZHLJMGXQSIJE-QZTJIDSGSA-N 0 3 380.492 2.085 40 0 GEABHN COc1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cc1F ZINC000328987063 206239402 /nfs/dbraw/zinc/23/94/02/206239402.db2.gz IAJNOUBDCZUVTM-UHFFFAOYSA-N 0 3 382.443 2.247 40 0 GEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(C(F)(F)F)n1 ZINC000329015334 206241761 /nfs/dbraw/zinc/24/17/61/206241761.db2.gz NAIJJFGWXDBJBQ-UHFFFAOYSA-N 0 3 375.782 2.415 40 0 GEABHN COc1nc(C)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)c(OC)n1 ZINC000012360875 206888532 /nfs/dbraw/zinc/88/85/32/206888532.db2.gz TUGMCUMFKINOQF-MRXNPFEDSA-N 0 3 376.501 2.212 40 0 GEABHN COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019078528 207101518 /nfs/dbraw/zinc/10/15/18/207101518.db2.gz XRIQTEXILICJDS-JKSUJKDBSA-N 0 3 396.491 2.304 40 0 GEABHN Cc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)c1 ZINC000019234690 207108543 /nfs/dbraw/zinc/10/85/43/207108543.db2.gz QXBNYHFMBJQXMZ-KRWDZBQOSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)c1 ZINC000019234690 207108547 /nfs/dbraw/zinc/10/85/47/207108547.db2.gz QXBNYHFMBJQXMZ-KRWDZBQOSA-N 0 3 380.492 2.015 40 0 GEABHN COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc(OC)c1OC ZINC000019286341 207112805 /nfs/dbraw/zinc/11/28/05/207112805.db2.gz XYYPXKBNHJFUIC-CABCVRRESA-N 0 3 385.464 2.236 40 0 GEABHN COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc(OC)c1OC ZINC000019286341 207112808 /nfs/dbraw/zinc/11/28/08/207112808.db2.gz XYYPXKBNHJFUIC-CABCVRRESA-N 0 3 385.464 2.236 40 0 GEABHN Cn1cnc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)c1 ZINC000019290800 207113508 /nfs/dbraw/zinc/11/35/08/207113508.db2.gz XIXNYWHHMQNBIE-NSHGMRRFSA-N 0 3 388.537 2.451 40 0 GEABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1CC1CC1 ZINC000019404204 207121571 /nfs/dbraw/zinc/12/15/71/207121571.db2.gz KGGISWQRLAXFAP-LJQANCHMSA-N 0 3 382.512 2.480 40 0 GEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)n1 ZINC000019572975 207137458 /nfs/dbraw/zinc/13/74/58/207137458.db2.gz KBAKDEUPGAAYMF-DLBZAZTESA-N 0 3 382.512 2.245 40 0 GEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019583077 207140114 /nfs/dbraw/zinc/14/01/14/207140114.db2.gz OAISVDHRCZNZOF-MRXNPFEDSA-N 0 3 396.470 2.086 40 0 GEABHN Cc1nn(CCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c(C)c1C ZINC000019557059 207133346 /nfs/dbraw/zinc/13/33/46/207133346.db2.gz PPDWWYPFDIFSFP-UHFFFAOYSA-N 0 3 396.539 2.383 40 0 GEABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)COC(C)C)CC2)cc(C)n1 ZINC000019697983 207148100 /nfs/dbraw/zinc/14/81/00/207148100.db2.gz ZTMOMHIEFNBLDU-HXUWFJFHSA-N 0 3 388.512 2.147 40 0 GEABHN Cc1onc(C(C)C)c1C(=O)N1CCc2nnc(C3CCN(C)CC3)n2CC1 ZINC000019708991 207149916 /nfs/dbraw/zinc/14/99/16/207149916.db2.gz JGKXOAQKIUZOPE-UHFFFAOYSA-N 0 3 386.500 2.206 40 0 GEABHN COc1ccc(C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)cn1 ZINC000019583253 207140355 /nfs/dbraw/zinc/14/03/55/207140355.db2.gz DSQIKSVKHPURTD-INIZCTEOSA-N 0 3 394.479 2.026 40 0 GEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019590251 207142098 /nfs/dbraw/zinc/14/20/98/207142098.db2.gz UXXJJNBHACLCJW-OAHLLOKOSA-N 0 3 384.455 2.258 40 0 GEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019590251 207142101 /nfs/dbraw/zinc/14/21/01/207142101.db2.gz UXXJJNBHACLCJW-OAHLLOKOSA-N 0 3 384.455 2.258 40 0 GEABHN CN1CCc2nc(C3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)ncc2C1 ZINC000019590693 207142642 /nfs/dbraw/zinc/14/26/42/207142642.db2.gz STEUOABIISWYJH-UHFFFAOYSA-N 0 3 394.475 2.256 40 0 GEABHN Cc1cc(C(=O)Nc2ccccc2CN2CCCC2)nc(N2CCOCC2)n1 ZINC000019718734 207156334 /nfs/dbraw/zinc/15/63/34/207156334.db2.gz GVIUKIYDIZCDPB-UHFFFAOYSA-N 0 3 381.480 2.470 40 0 GEABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccccc21 ZINC000096242221 208293401 /nfs/dbraw/zinc/29/34/01/208293401.db2.gz AUEFLJXHBCHNTP-QGZVFWFLSA-N 0 3 386.540 2.257 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306131793 209102583 /nfs/dbraw/zinc/10/25/83/209102583.db2.gz KPUDBCDXILSOME-MSOLQXFVSA-N 0 3 377.448 2.105 40 0 GEABHN CN(C)CCNC(=O)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 ZINC000306133314 209101129 /nfs/dbraw/zinc/10/11/29/209101129.db2.gz MIDSONJPCWPJEF-LJQANCHMSA-N 0 3 392.507 2.358 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306130207 209100444 /nfs/dbraw/zinc/10/04/44/209100444.db2.gz IZDIFQLYPFJNKJ-JKSUJKDBSA-N 0 3 392.438 2.369 40 0 GEABHN Cc1cccc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124056 209098154 /nfs/dbraw/zinc/09/81/54/209098154.db2.gz BEIHAIBDICMUGJ-QGZVFWFLSA-N 0 3 378.480 2.259 40 0 GEABHN C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000257200137 209054586 /nfs/dbraw/zinc/05/45/86/209054586.db2.gz ACDSVFONQDGMOU-OAQYLSRUSA-N 0 3 387.455 2.416 40 0 GEABHN C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000257200137 209054591 /nfs/dbraw/zinc/05/45/91/209054591.db2.gz ACDSVFONQDGMOU-OAQYLSRUSA-N 0 3 387.455 2.416 40 0 GEABHN Cc1ccc(=O)n(CC(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCCN3C)n1 ZINC000257281401 209066724 /nfs/dbraw/zinc/06/67/24/209066724.db2.gz OOZLVSIQMJWMFO-AQNXPRMDSA-N 0 3 380.492 2.378 40 0 GEABHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccc(C)s1)C2 ZINC000096230513 136185348 /nfs/dbraw/zinc/18/53/48/136185348.db2.gz VERVRPYOAZYNPB-HXUWFJFHSA-N 0 3 384.505 2.291 40 0 GEABHN COc1cccc2cc(C(=O)Nc3ccc(N4CCNCC4)cc3)c(=O)oc21 ZINC000004930600 136194385 /nfs/dbraw/zinc/19/43/85/136194385.db2.gz HQUHGYDHNUUYKU-UHFFFAOYSA-N 0 3 379.416 2.464 40 0 GEABHN CCc1ccccc1NC(=O)CN1[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]1c1ccccc1 ZINC000585261489 570228577 /nfs/dbraw/zinc/22/85/77/570228577.db2.gz SPFGVPYTVSTDAN-URVUXULASA-N 0 3 394.519 2.419 40 0 GEABHN CCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585270515 570239099 /nfs/dbraw/zinc/23/90/99/570239099.db2.gz LOGJCBUQDADLBR-NRFANRHFSA-N 0 3 389.471 2.367 40 0 GEABHN CN(Cc1ccccc1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585284258 570253422 /nfs/dbraw/zinc/25/34/22/570253422.db2.gz JGQPWPIVTFDUNT-JTHBVZDNSA-N 0 3 382.504 2.076 40 0 GEABHN CN(Cc1ccccc1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585284340 570253471 /nfs/dbraw/zinc/25/34/71/570253471.db2.gz JYVKKLLLKBEUAH-GMAHTHKFSA-N 0 3 382.504 2.076 40 0 GEABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 ZINC000585291393 570260440 /nfs/dbraw/zinc/26/04/40/570260440.db2.gz CAMCERVIJBFDHT-RCMYXZNBSA-N 0 3 381.484 2.490 40 0 GEABHN CCOCCOc1ccc(CNC[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257305139 570488983 /nfs/dbraw/zinc/48/89/83/570488983.db2.gz SOPMSXBMKVZSFE-NRFANRHFSA-N 0 3 386.496 2.013 40 0 GEABHN CCOc1ccc(CCC(=O)NCCCN2CCN(C)CC2)cc1OCC ZINC000044841717 570634794 /nfs/dbraw/zinc/63/47/94/570634794.db2.gz UFASOYILJVCBAO-UHFFFAOYSA-N 0 3 377.529 2.170 40 0 GEABHN C[C@H]1CN(C2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@H](C)O1 ZINC000012363748 570646196 /nfs/dbraw/zinc/64/61/96/570646196.db2.gz WSEUETHMVHJQFV-IRXDYDNUSA-N 0 3 384.524 2.200 40 0 GEABHN COc1ccc(CN2CCC[C@H](Cn3nnc4c3nc(C)[nH]c4=O)C2)c(OC)c1 ZINC000012471195 570672881 /nfs/dbraw/zinc/67/28/81/570672881.db2.gz UEOCNIXSLZMNGI-AWEZNQCLSA-N 0 3 398.467 2.165 40 0 GEABHN NC[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216003 570816872 /nfs/dbraw/zinc/81/68/72/570816872.db2.gz JIRVDPWRCFPHGZ-ULQDDVLXSA-N 0 3 396.306 2.326 40 0 GEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)cc1F ZINC000585104848 570934232 /nfs/dbraw/zinc/93/42/32/570934232.db2.gz UIAVPNBNWHEROA-ZWKOTPCHSA-N 0 3 376.472 2.212 40 0 GEABHN Cc1cc(C)cc(C(=O)N2CCc3nc4n(c(=O)c3C2)[C@@H](CN(C)C)CCC4)c1 ZINC000585110222 570939174 /nfs/dbraw/zinc/93/91/74/570939174.db2.gz YLCFBNXJFPYFDG-GOSISDBHSA-N 0 3 394.519 2.498 40 0 GEABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(C)=O)n(C)n2)cc1OC ZINC000008635509 291116383 /nfs/dbraw/zinc/11/63/83/291116383.db2.gz VKDBDFYXCCQBMM-JQHSSLGASA-N 0 3 398.507 2.418 40 0 biogenic,in-vitro GEABHN CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306144578 209107882 /nfs/dbraw/zinc/10/78/82/209107882.db2.gz ZJFXWVNMDCRKAR-SJORKVTESA-N 0 3 391.479 2.051 40 0 GEABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012325595 206886898 /nfs/dbraw/zinc/88/68/98/206886898.db2.gz QIQUPNVTUQIYPU-UHFFFAOYSA-N 0 3 394.475 2.065 40 0 GEABHN Cc1ccccc1CN1CC[C@@]2(C1)Cn1c(nnc1C(=O)NCC(C)C)CN2C ZINC000306140193 209106102 /nfs/dbraw/zinc/10/61/02/209106102.db2.gz UMNVIGPUXNBBAA-JOCHJYFZSA-N 0 3 396.539 2.062 40 0 GEABHN Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CCC5)n4C3)CC2)n1 ZINC000306139805 209105807 /nfs/dbraw/zinc/10/58/07/209105807.db2.gz UBHHESUZPXOWAW-UHFFFAOYSA-N 0 3 394.523 2.492 40 0 GEABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019021571 207100566 /nfs/dbraw/zinc/10/05/66/207100566.db2.gz YOKYOXCNKNPLQE-INIZCTEOSA-N 0 3 382.443 2.091 40 0 GEABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019021566 207100927 /nfs/dbraw/zinc/10/09/27/207100927.db2.gz YOKYOXCNKNPLQE-MRXNPFEDSA-N 0 3 382.443 2.091 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1F ZINC000019214509 207107484 /nfs/dbraw/zinc/10/74/84/207107484.db2.gz UKZQDRKLPVCIBF-UHFFFAOYSA-N 0 3 390.484 2.138 40 0 GEABHN COc1ccc2[nH]cc([C@H](O)CN3CCC(O)(Cn4ccnc4C)CC3)c2c1 ZINC000019287931 207112535 /nfs/dbraw/zinc/11/25/35/207112535.db2.gz YOMMAJNKDCDYBE-HXUWFJFHSA-N 0 3 384.480 2.242 40 0 GEABHN CN(C)C[C@H]1[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366211 207118736 /nfs/dbraw/zinc/11/87/36/207118736.db2.gz FFPATKGBQDEKQE-VXKWHMMOSA-N 0 3 394.515 2.490 40 0 GEABHN C[C@@H](CC(=O)N(C[C@H]1CCCO1)C1CCN(C)CC1)n1nnc2ccccc21 ZINC000019455083 207124162 /nfs/dbraw/zinc/12/41/62/207124162.db2.gz LNNRUHNVYOAJHQ-FUHWJXTLSA-N 0 3 385.512 2.484 40 0 GEABHN C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCNC5)C3)ccc2O1 ZINC000019497930 207124474 /nfs/dbraw/zinc/12/44/74/207124474.db2.gz FWOWRNZPEXRRCB-GOEBONIOSA-N 0 3 378.476 2.466 40 0 GEABHN CCc1nc2ccccc2n1CC(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019523261 207128477 /nfs/dbraw/zinc/12/84/77/207128477.db2.gz STNRDBMXSWLEPV-HNNXBMFYSA-N 0 3 390.491 2.051 40 0 GEABHN CCc1nc2ccccc2n1CC(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019523260 207128805 /nfs/dbraw/zinc/12/88/05/207128805.db2.gz STNRDBMXSWLEPV-OAHLLOKOSA-N 0 3 390.491 2.051 40 0 GEABHN CCN1CCC[C@H]1CN(Cc1ccco1)Cc1cnc(N2CCOCC2)nc1 ZINC000019527200 207129464 /nfs/dbraw/zinc/12/94/64/207129464.db2.gz RMYVDNGCWPMSBE-IBGZPJMESA-N 0 3 385.512 2.393 40 0 GEABHN COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CCNC3)C2 ZINC000019568299 207136222 /nfs/dbraw/zinc/13/62/22/207136222.db2.gz AJSHHVCXIFMHTI-YJBOKZPZSA-N 0 3 394.475 2.046 40 0 GEABHN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019579703 207139301 /nfs/dbraw/zinc/13/93/01/207139301.db2.gz JZUMZJSCCLALAT-KRWDZBQOSA-N 0 3 390.447 2.458 40 0 GEABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)c3c[nH]nc3C)CC2)cc(C)n1 ZINC000019698031 207147949 /nfs/dbraw/zinc/14/79/49/207147949.db2.gz KRCZQMJAHNSICF-FQEVSTJZSA-N 0 3 396.495 2.067 40 0 GEABHN CN1CC[C@H](c2ncc3c(n2)CCN(C(=O)CCn2ncc4ccccc42)C3)C1 ZINC000019587949 207140327 /nfs/dbraw/zinc/14/03/27/207140327.db2.gz AWRYLAGGEVOOFV-KRWDZBQOSA-N 0 3 390.491 2.220 40 0 GEABHN COc1ccccc1CN1CCC(c2nnc3n2CCN(C(C)=O)CC3)CC1 ZINC000019708969 207150660 /nfs/dbraw/zinc/15/06/60/207150660.db2.gz HXMUMNSOVWTTBV-UHFFFAOYSA-N 0 3 383.496 2.071 40 0 GEABHN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709232 207151157 /nfs/dbraw/zinc/15/11/57/207151157.db2.gz MPQJVYCNOPVOJY-QGZVFWFLSA-N 0 3 385.487 2.292 40 0 GEABHN COCCN1CC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019753100 207159005 /nfs/dbraw/zinc/15/90/05/207159005.db2.gz CEIFQWXGRXBZNP-KRWDZBQOSA-N 0 3 384.480 2.159 40 0 GEABHN CN(C)C(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2N(C)C)CC1 ZINC000019752168 207159415 /nfs/dbraw/zinc/15/94/15/207159415.db2.gz IRUKBIFTXDRSMR-UHFFFAOYSA-N 0 3 384.528 2.038 40 0 GEABHN COCCNC(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762690 207160862 /nfs/dbraw/zinc/16/08/62/207160862.db2.gz LHSSJCNBLCKGJB-MRXNPFEDSA-N 0 3 393.491 2.334 40 0 GEABHN O=C(NCCCN1CCOCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944485 207377083 /nfs/dbraw/zinc/37/70/83/207377083.db2.gz BHYNQDRLIAMCBJ-SFHVURJKSA-N 0 3 379.932 2.391 40 0 GEABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373072 208005152 /nfs/dbraw/zinc/00/51/52/208005152.db2.gz LMOUBAQJRCJSPG-KSZLIROESA-N 0 3 386.540 2.264 40 0 GEABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096036819 208255192 /nfs/dbraw/zinc/25/51/92/208255192.db2.gz UCWXJVOVVHEFLV-QGZVFWFLSA-N 0 3 386.521 2.457 40 0 GEABHN CN(C)CCN1CCOCC12CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000096074644 208257743 /nfs/dbraw/zinc/25/77/43/208257743.db2.gz HSGLEDNDVWAJGT-UHFFFAOYSA-N 0 3 382.508 2.103 40 0 GEABHN COc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056959 208258258 /nfs/dbraw/zinc/25/82/58/208258258.db2.gz YXFARMYOVNERCI-CTNGQTDRSA-N 0 3 376.497 2.171 40 0 GEABHN CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096260365 208295182 /nfs/dbraw/zinc/29/51/82/208295182.db2.gz JCGFMSBWYPZURS-UHFFFAOYSA-N 0 3 379.508 2.283 40 0 GEABHN CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096260364 208296045 /nfs/dbraw/zinc/29/60/45/208296045.db2.gz BBHKCWJXEHLPHB-UHFFFAOYSA-N 0 3 379.508 2.283 40 0 GEABHN COCCN1CC[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn32)C1 ZINC000096267481 208299685 /nfs/dbraw/zinc/29/96/85/208299685.db2.gz YXGNJJGINVNLHS-MRXNPFEDSA-N 0 3 397.454 2.234 40 0 GEABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3cccnc3)C2)cc1 ZINC000306141691 209105314 /nfs/dbraw/zinc/10/53/14/209105314.db2.gz WEDNOTHWPWUMCM-JOCHJYFZSA-N 0 3 389.459 2.256 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306136262 209104114 /nfs/dbraw/zinc/10/41/14/209104114.db2.gz POFZABSUTNSGAE-DLBZAZTESA-N 0 3 377.448 2.105 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccoc4)C[C@H]2C3)cc1 ZINC000306123995 209097203 /nfs/dbraw/zinc/09/72/03/209097203.db2.gz BCNRAKGNECZNCV-HZPDHXFCSA-N 0 3 393.447 2.436 40 0 GEABHN Cc1ccc(CN2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244147 136185585 /nfs/dbraw/zinc/18/55/85/136185585.db2.gz PQVAWKIWFNUNII-QFIPXVFZSA-N 0 3 380.492 2.296 40 0 GEABHN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(Cc2ccccc2)C1 ZINC000096244560 136185786 /nfs/dbraw/zinc/18/57/86/136185786.db2.gz ZOTWJXJJHGPZLZ-JOCHJYFZSA-N 0 3 380.492 2.296 40 0 GEABHN CN1CC[C@@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391599 222248646 /nfs/dbraw/zinc/24/86/46/222248646.db2.gz WWPKBTCRTJORPD-OAHLLOKOSA-N 0 3 397.454 2.185 40 0 GEABHN COc1cccc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4nccnc34)C2)c1 ZINC000072391680 222249786 /nfs/dbraw/zinc/24/97/86/222249786.db2.gz QSGUYGJCSUCOIA-MRXNPFEDSA-N 0 3 394.479 2.026 40 0 GEABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290172 560030205 /nfs/dbraw/zinc/03/02/05/560030205.db2.gz UYIXMYFEALTNHT-DHIUTWEWSA-N 0 3 377.532 2.235 40 0 biogenic,in-vitro GEABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290175 560030335 /nfs/dbraw/zinc/03/03/35/560030335.db2.gz UYIXMYFEALTNHT-XZOQPEGZSA-N 0 3 377.532 2.235 40 0 biogenic,in-vitro GEABHN COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)C)cc1 ZINC000585262182 570229569 /nfs/dbraw/zinc/22/95/69/570229569.db2.gz NQRAOGVTGPNGOE-ZRNYENFQSA-N 0 3 388.439 2.075 40 0 GEABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCCO)cc2)c1 ZINC000585269788 570238653 /nfs/dbraw/zinc/23/86/53/570238653.db2.gz JKNOHLGYKDLCJA-GOSISDBHSA-N 0 3 375.465 2.328 40 0 GEABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCCO)cc2)cc1 ZINC000585270493 570239060 /nfs/dbraw/zinc/23/90/60/570239060.db2.gz XVANBVKHJSRQGK-GOSISDBHSA-N 0 3 375.465 2.328 40 0 GEABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283520 570251906 /nfs/dbraw/zinc/25/19/06/570251906.db2.gz RNHBMOMLPLTHEN-OAQYLSRUSA-N 0 3 392.496 2.058 40 0 GEABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 ZINC000585288162 570259062 /nfs/dbraw/zinc/25/90/62/570259062.db2.gz YEKQWNINRLEPEC-OAQYLSRUSA-N 0 3 392.496 2.058 40 0 GEABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000242538929 570343893 /nfs/dbraw/zinc/34/38/93/570343893.db2.gz JIFCIRQKSVAIOQ-QWFCFKBJSA-N 0 3 389.473 2.143 40 0 GEABHN c1ccc(CCn2nnnc2[C@@H](c2cccnc2)N2CCN3CCC[C@@H]3C2)cc1 ZINC000022584626 570348264 /nfs/dbraw/zinc/34/82/64/570348264.db2.gz XYYWYLNMDXRUDO-NHCUHLMSSA-N 0 3 389.507 2.180 40 0 GEABHN COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc1OC ZINC000012085354 570606333 /nfs/dbraw/zinc/60/63/33/570606333.db2.gz OZJOLXZBISSDSA-MRXNPFEDSA-N 0 3 395.467 2.060 40 0 GEABHN COCCNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133509 570618284 /nfs/dbraw/zinc/61/82/84/570618284.db2.gz XPYWGLVWIXHFHU-UHFFFAOYSA-N 0 3 390.553 2.029 40 0 GEABHN c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CCN3CCC[C@@H]3C2)cc1 ZINC000019371456 570925270 /nfs/dbraw/zinc/92/52/70/570925270.db2.gz XYYWYLNMDXRUDO-RTWAWAEBSA-N 0 3 389.507 2.180 40 0 GEABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597112 570931066 /nfs/dbraw/zinc/93/10/66/570931066.db2.gz XAQVGHYQAQGCHN-LNLFQRSKSA-N 0 3 377.437 2.274 40 0 GEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218596965 570931141 /nfs/dbraw/zinc/93/11/41/570931141.db2.gz XAQVGHYQAQGCHN-AOIWGVFYSA-N 0 3 377.437 2.274 40 0 GEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)cc1F ZINC000585104841 570934190 /nfs/dbraw/zinc/93/41/90/570934190.db2.gz UIAVPNBNWHEROA-MSOLQXFVSA-N 0 3 376.472 2.212 40 0 GEABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000252515660 645565978 /nfs/dbraw/zinc/56/59/78/645565978.db2.gz MLALTAJACZOZPE-OAGGEKHMSA-N 0 3 381.295 2.045 40 0 GEABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000012601967 291115579 /nfs/dbraw/zinc/11/55/79/291115579.db2.gz HWSNHBDNOFZXAH-JZXOWHBKSA-N 0 3 398.507 2.036 40 0 biogenic,in-vitro GEABHN CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218621079 532483268 /nfs/dbraw/zinc/48/32/68/532483268.db2.gz ORHPMQATDKFAGE-GRDNDAEWSA-N 0 3 388.917 2.463 40 0 GEABHN CN1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000306143325 209108366 /nfs/dbraw/zinc/10/83/66/209108366.db2.gz XYZHLJMGXQSIJE-MSOLQXFVSA-N 0 3 380.492 2.085 40 0 GEABHN CN(C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1 ZINC000328971283 206239614 /nfs/dbraw/zinc/23/96/14/206239614.db2.gz DPRIBNSHLCSTJB-UHFFFAOYSA-N 0 3 384.434 2.246 40 0 GEABHN Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019209475 207106410 /nfs/dbraw/zinc/10/64/10/207106410.db2.gz QYGYWBXQLOJJMH-KRWDZBQOSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019209475 207106415 /nfs/dbraw/zinc/10/64/15/207106415.db2.gz QYGYWBXQLOJJMH-KRWDZBQOSA-N 0 3 380.492 2.015 40 0 GEABHN O=C(Cc1ccc2c(c1)OCCCO2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019345695 207116638 /nfs/dbraw/zinc/11/66/38/207116638.db2.gz LHSQOPBOIXBFEV-GOSISDBHSA-N 0 3 394.475 2.190 40 0 GEABHN CN(C)C[C@@H]1[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366212 207118721 /nfs/dbraw/zinc/11/87/21/207118721.db2.gz FFPATKGBQDEKQE-YADHBBJMSA-N 0 3 394.515 2.490 40 0 GEABHN Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 ZINC000019237917 207111001 /nfs/dbraw/zinc/11/10/01/207111001.db2.gz PQIDJKUVWZLQLT-OAHLLOKOSA-N 0 3 382.512 2.012 40 0 GEABHN CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019523568 207128112 /nfs/dbraw/zinc/12/81/12/207128112.db2.gz JASRDWKQRXYGAB-MAUKXSAKSA-N 0 3 382.512 2.271 40 0 GEABHN CCOc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019532869 207130664 /nfs/dbraw/zinc/13/06/64/207130664.db2.gz XTPISIJWIOLZTB-QGZVFWFLSA-N 0 3 380.492 2.470 40 0 GEABHN Cc1oc2c(c1C(=O)N(CCN1CCOCC1)C1CCN(C)CC1)CCCC2 ZINC000019581162 207139496 /nfs/dbraw/zinc/13/94/96/207139496.db2.gz LUADXKRNMNUOOS-UHFFFAOYSA-N 0 3 389.540 2.335 40 0 GEABHN COc1cc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2 ZINC000019549942 207131271 /nfs/dbraw/zinc/13/12/71/207131271.db2.gz QXCKKWWZALUUAF-AWEZNQCLSA-N 0 3 395.419 2.296 40 0 GEABHN CCOc1ncccc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019531383 207131560 /nfs/dbraw/zinc/13/15/60/207131560.db2.gz HRFZSAJFJDUNMA-UHFFFAOYSA-N 0 3 381.480 2.278 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(C)c1C ZINC000019556761 207131928 /nfs/dbraw/zinc/13/19/28/207131928.db2.gz XZYIUWJBSDJNMY-KSSFIOAISA-N 0 3 396.539 2.286 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C ZINC000019556703 207132518 /nfs/dbraw/zinc/13/25/18/207132518.db2.gz JWCKQPLPMVFOPS-CQSZACIVSA-N 0 3 396.539 2.286 40 0 GEABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3c[nH]nc3C)CC2)cc(C)n1 ZINC000019698030 207149149 /nfs/dbraw/zinc/14/91/49/207149149.db2.gz KRCZQMJAHNSICF-HXUWFJFHSA-N 0 3 396.495 2.067 40 0 GEABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)COc2ccc(F)cc2)C3)CC1 ZINC000019588294 207140449 /nfs/dbraw/zinc/14/04/49/207140449.db2.gz HQCFYZVOLONSOY-UHFFFAOYSA-N 0 3 384.455 2.389 40 0 GEABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)COc2ccccc2F)C3)C1 ZINC000019588595 207140797 /nfs/dbraw/zinc/14/07/97/207140797.db2.gz ONSRAVOSVVBDQE-HNNXBMFYSA-N 0 3 384.455 2.389 40 0 GEABHN COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019590682 207141245 /nfs/dbraw/zinc/14/12/45/207141245.db2.gz UFVIDGGOWOMCLM-UHFFFAOYSA-N 0 3 380.492 2.422 40 0 GEABHN CNC(=O)[C@@H]1CN(Cc2cccc(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591946 207141776 /nfs/dbraw/zinc/14/17/76/207141776.db2.gz CGRLLPGNQCMABU-RTBURBONSA-N 0 3 395.507 2.047 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCCCC5)C3)ncc2C1 ZINC000019590428 207141791 /nfs/dbraw/zinc/14/17/91/207141791.db2.gz GCAMWIHMAHQPGA-OAHLLOKOSA-N 0 3 394.523 2.476 40 0 GEABHN Cc1nccn1C[C@@H]1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000019656778 207145048 /nfs/dbraw/zinc/14/50/48/207145048.db2.gz KJGPRSQWVDMBFM-LJQANCHMSA-N 0 3 399.514 2.391 40 0 GEABHN CCOc1ccc(CCC(=O)N2CCC[C@H](c3nnc4n3CCNCC4)C2)cc1 ZINC000019709223 207150580 /nfs/dbraw/zinc/15/05/80/207150580.db2.gz MLDCDCLCRSOIGB-SFHVURJKSA-N 0 3 397.523 2.161 40 0 GEABHN CCOCc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)cc1 ZINC000019710978 207151842 /nfs/dbraw/zinc/15/18/42/207151842.db2.gz FAXVRMAKGLJYJT-GOSISDBHSA-N 0 3 383.496 2.280 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)C3)C1 ZINC000019711053 207152822 /nfs/dbraw/zinc/15/28/22/207152822.db2.gz SIWBLBVRIKBWMR-INIZCTEOSA-N 0 3 376.464 2.292 40 0 GEABHN CC(C)(C(=O)N1CCC(c2nnc3n2CCNCC3)CC1)c1cccc(F)c1 ZINC000019709516 207152884 /nfs/dbraw/zinc/15/28/84/207152884.db2.gz VXYDKGWGDMIQNJ-UHFFFAOYSA-N 0 3 385.487 2.247 40 0 GEABHN CCN1CCCc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719393 207155938 /nfs/dbraw/zinc/15/59/38/207155938.db2.gz BJLNMVBQXPZUMN-GOSISDBHSA-N 0 3 388.537 2.099 40 0 GEABHN COc1ccc(CN2CCC[C@@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000019743584 207157745 /nfs/dbraw/zinc/15/77/45/207157745.db2.gz PKVNTWMZMZQEJV-MRXNPFEDSA-N 0 3 394.475 2.020 40 0 GEABHN CN(CCO)C(=O)c1cc([C@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762696 207161939 /nfs/dbraw/zinc/16/19/39/207161939.db2.gz JMYPVWXASBRAAR-INIZCTEOSA-N 0 3 393.491 2.022 40 0 GEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(O)cc1 ZINC000020636778 207208856 /nfs/dbraw/zinc/20/88/56/207208856.db2.gz JGHUUAAZDLOCKT-OALUTQOASA-N 0 3 393.443 2.157 40 0 GEABHN O=C1CCCN1c1ccc(CN2CCc3nnc([C@H]4CCCCN4)n3CC2)cc1 ZINC000072372823 208005352 /nfs/dbraw/zinc/00/53/52/208005352.db2.gz ACMLJYFZLOKSRZ-LJQANCHMSA-N 0 3 394.523 2.278 40 0 GEABHN Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@]3(CC(=O)N(C)C3)C2)s1 ZINC000096036096 208253493 /nfs/dbraw/zinc/25/34/93/208253493.db2.gz XJXWZTJPCIEEEZ-IBGZPJMESA-N 0 3 378.542 2.141 40 0 GEABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)o1 ZINC000096036771 208255114 /nfs/dbraw/zinc/25/51/14/208255114.db2.gz YXQQPJQWGVYCJA-GOSISDBHSA-N 0 3 386.496 2.447 40 0 GEABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056105 208258464 /nfs/dbraw/zinc/25/84/64/208258464.db2.gz IVRZJNNJNQOWAZ-AVRDEDQJSA-N 0 3 397.498 2.423 40 0 GEABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228828 208290152 /nfs/dbraw/zinc/29/01/52/208290152.db2.gz ATSRAFLLPYWLIN-JOCHJYFZSA-N 0 3 384.524 2.284 40 0 GEABHN Cc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306136195 209104702 /nfs/dbraw/zinc/10/47/02/209104702.db2.gz PMJZNASWKZJUBB-JOCHJYFZSA-N 0 3 396.491 2.003 40 0 GEABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137533 209103485 /nfs/dbraw/zinc/10/34/85/209103485.db2.gz QZEVCHAYKHEUGY-UGKGYDQZSA-N 0 3 396.539 2.426 40 0 GEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccco3)CC1)COC2 ZINC000306126301 209097973 /nfs/dbraw/zinc/09/79/73/209097973.db2.gz DSAXRUHHYHOURZ-HNNXBMFYSA-N 0 3 387.484 2.212 40 0 GEABHN O=C(c1ccc(=O)[nH]c1)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257201032 209054201 /nfs/dbraw/zinc/05/42/01/209054201.db2.gz AFWDMKFABGQBKM-JOCHJYFZSA-N 0 3 381.476 2.203 40 0 GEABHN CN(CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1)C1CCCC1 ZINC000257287505 209069131 /nfs/dbraw/zinc/06/91/31/209069131.db2.gz PQGOCLRSHKLOLU-KXBFYZLASA-N 0 3 391.487 2.171 40 0 GEABHN O=C(Cc1ccc(CO)cc1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257287855 209069320 /nfs/dbraw/zinc/06/93/20/209069320.db2.gz PRTGMKTYWOKOMS-HXUWFJFHSA-N 0 3 396.478 2.196 40 0 GEABHN COc1ccccc1[C@@H]1CNCCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000257311744 209072326 /nfs/dbraw/zinc/07/23/26/209072326.db2.gz UKUXPYOENCBUCT-SFHVURJKSA-N 0 3 397.475 2.442 40 0 GEABHN CNC(=O)[C@]12CN(Cc3ccc(Cl)cc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251116 136185782 /nfs/dbraw/zinc/18/57/82/136185782.db2.gz IBEWYCQWJYEBCA-YLJYHZDGSA-N 0 3 385.899 2.347 40 0 GEABHN C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cc(=O)[n-]c(N)n1 ZINC000257314097 209074699 /nfs/dbraw/zinc/07/46/99/209074699.db2.gz UVHIRMIQCOMJQI-YKQMIWISSA-N 0 3 393.491 2.121 40 0 GEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000257332208 209076886 /nfs/dbraw/zinc/07/68/86/209076886.db2.gz XWFZIBFXGXWZPM-NRFANRHFSA-N 0 3 387.455 2.416 40 0 GEABHN COCCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1C ZINC000257340971 209077739 /nfs/dbraw/zinc/07/77/39/209077739.db2.gz ZIHQFEJKLDFXQO-CTNGQTDRSA-N 0 3 387.524 2.133 40 0 GEABHN COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3cnccn3)cc(C)n2)CC1 ZINC000257338323 209078284 /nfs/dbraw/zinc/07/82/84/209078284.db2.gz YWXGBQZHJFOJHV-INIZCTEOSA-N 0 3 398.511 2.254 40 0 GEABHN COc1ccccc1CN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290109 560030437 /nfs/dbraw/zinc/03/04/37/560030437.db2.gz TVWWXTADVJXGQW-FCHUYYIVSA-N 0 3 393.531 2.201 40 0 biogenic,in-vitro GEABHN COCCNc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)cn1 ZINC000035425193 560080216 /nfs/dbraw/zinc/08/02/16/560080216.db2.gz KQQDRXXVSJHBEJ-KRWDZBQOSA-N 0 3 386.500 2.421 40 0 biogenic,in-vitro GEABHN COCCNc1cc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)ccn1 ZINC000035424556 560081160 /nfs/dbraw/zinc/08/11/60/560081160.db2.gz OAOZUSWVFGTHSP-KRWDZBQOSA-N 0 3 386.500 2.421 40 0 biogenic,in-vitro GEABHN CC1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000012602504 560213215 /nfs/dbraw/zinc/21/32/15/560213215.db2.gz YDURHWHKIOPUKK-OKZBNKHCSA-N 0 3 397.610 2.469 40 0 biogenic,in-vitro GEABHN COc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1OC ZINC000329051915 570215238 /nfs/dbraw/zinc/21/52/38/570215238.db2.gz UZGUAVJECRERLY-UHFFFAOYSA-N 0 3 385.390 2.074 40 0 GEABHN Cc1nc(C2CCN(C(=O)C3CCN(C)CC3)CC2)ncc1C(=O)N1CCCC1 ZINC000019765824 570217215 /nfs/dbraw/zinc/21/72/15/570217215.db2.gz XWMDPMCWKYZYTQ-UHFFFAOYSA-N 0 3 399.539 2.069 40 0 GEABHN COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000585262172 570229773 /nfs/dbraw/zinc/22/97/73/570229773.db2.gz DJHSFUFZLHQIEO-YJMBLLCNSA-N 0 3 396.487 2.470 40 0 GEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000585262326 570230212 /nfs/dbraw/zinc/23/02/12/570230212.db2.gz BBNDGCQNEWWHEW-CZYKHXBRSA-N 0 3 396.487 2.470 40 0 GEABHN O[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585270520 570239092 /nfs/dbraw/zinc/23/90/92/570239092.db2.gz YTVGKQAVGJSYBK-GOTSBHOMSA-N 0 3 399.510 2.402 40 0 GEABHN CCC(CC)N1CCN(C(=O)COC)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284166 570250461 /nfs/dbraw/zinc/25/04/61/570250461.db2.gz VLLSVJJGVZRCQI-JOCHJYFZSA-N 0 3 392.540 2.393 40 0 GEABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585288161 570259002 /nfs/dbraw/zinc/25/90/02/570259002.db2.gz YEKQWNINRLEPEC-NRFANRHFSA-N 0 3 392.496 2.058 40 0 GEABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)c1ccccc1 ZINC000257264602 570488208 /nfs/dbraw/zinc/48/82/08/570488208.db2.gz LVFLXJYMROIARC-OAQYLSRUSA-N 0 3 384.476 2.090 40 0 GEABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc21 ZINC000225075305 570547417 /nfs/dbraw/zinc/54/74/17/570547417.db2.gz RHKMTOAPOKGTRH-UHFFFAOYSA-N 0 3 379.526 2.140 40 0 GEABHN CC[C@@H](CO)NCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540338 570760457 /nfs/dbraw/zinc/76/04/57/570760457.db2.gz KGXJAHKIZCXKHZ-KRWDZBQOSA-N 0 3 397.479 2.419 40 0 GEABHN COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1 ZINC000257229793 570765241 /nfs/dbraw/zinc/76/52/41/570765241.db2.gz FZMQIPDOAJRASU-MRXNPFEDSA-N 0 3 398.511 2.254 40 0 GEABHN CC[C@H](C(=O)NCCN1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713967 570778232 /nfs/dbraw/zinc/77/82/32/570778232.db2.gz GMCQWRJCJRWPFD-GOSISDBHSA-N 0 3 381.542 2.142 40 0 GEABHN NCC1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218215695 570816829 /nfs/dbraw/zinc/81/68/29/570816829.db2.gz BEPBZYPFWLQYCH-JKSUJKDBSA-N 0 3 395.322 2.293 40 0 GEABHN NC[C@@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215927 570817037 /nfs/dbraw/zinc/81/70/37/570817037.db2.gz JIRVDPWRCFPHGZ-YESZJQIVSA-N 0 3 396.306 2.326 40 0 GEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597182 570931180 /nfs/dbraw/zinc/93/11/80/570931180.db2.gz XAQVGHYQAQGCHN-JENIJYKNSA-N 0 3 377.437 2.274 40 0 GEABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597050 570931186 /nfs/dbraw/zinc/93/11/86/570931186.db2.gz XAQVGHYQAQGCHN-ZIFCJYIRSA-N 0 3 377.437 2.274 40 0 GEABHN CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccc(F)c1)CC3 ZINC000585110156 570939029 /nfs/dbraw/zinc/93/90/29/570939029.db2.gz QSDKBHFDDIEAEI-INIZCTEOSA-N 0 3 384.455 2.020 40 0 GEABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1 ZINC000008636244 291113907 /nfs/dbraw/zinc/11/39/07/291113907.db2.gz XYNOWFLKYUJNNO-JAXLGGSGSA-N 0 3 399.583 2.227 40 0 biogenic,in-vitro GEABHN C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000225682608 532486634 /nfs/dbraw/zinc/48/66/34/532486634.db2.gz DUGWWWDDBHHOKO-ZDUSSCGKSA-N 0 3 383.539 2.000 40 0 GEABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccncc3)C2)cc1 ZINC000306140506 209107185 /nfs/dbraw/zinc/10/71/85/209107185.db2.gz UVOAPGWTKOXWHR-QFIPXVFZSA-N 0 3 389.459 2.256 40 0 GEABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(C(F)(F)F)n1 ZINC000329036396 206243162 /nfs/dbraw/zinc/24/31/62/206243162.db2.gz RIDBKDUQXCVREQ-UHFFFAOYSA-N 0 3 379.308 2.474 40 0 GEABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140101 209106617 /nfs/dbraw/zinc/10/66/17/209106617.db2.gz UJYRJPOHWOIQRS-IFMALSPDSA-N 0 3 378.476 2.084 40 0 GEABHN Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019237981 207110544 /nfs/dbraw/zinc/11/05/44/207110544.db2.gz CYDOKEGCOMEVOM-DOTOQJQBSA-N 0 3 382.512 2.012 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)cc1F ZINC000019214532 207107675 /nfs/dbraw/zinc/10/76/75/207107675.db2.gz NHKLYSXVWBMJGA-AWEZNQCLSA-N 0 3 390.484 2.090 40 0 GEABHN Cc1nc(C)n(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)n1 ZINC000019285694 207112044 /nfs/dbraw/zinc/11/20/44/207112044.db2.gz QZOJIVCNGCGYMZ-UHFFFAOYSA-N 0 3 383.496 2.217 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)s1 ZINC000019560057 207134336 /nfs/dbraw/zinc/13/43/36/207134336.db2.gz PDWGJHVBBYLWDA-CYBMUJFWSA-N 0 3 387.509 2.263 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)s1 ZINC000019560057 207134342 /nfs/dbraw/zinc/13/43/42/207134342.db2.gz PDWGJHVBBYLWDA-CYBMUJFWSA-N 0 3 387.509 2.263 40 0 GEABHN COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CCNC3)CO2 ZINC000019562392 207135218 /nfs/dbraw/zinc/13/52/18/207135218.db2.gz GRRVYSNDKIYGHN-HNAYVOBHSA-N 0 3 394.475 2.046 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(C)c1C ZINC000019556755 207132454 /nfs/dbraw/zinc/13/24/54/207132454.db2.gz XZYIUWJBSDJNMY-KBXCAEBGSA-N 0 3 396.539 2.286 40 0 GEABHN COc1ccccc1CCC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590603 207140653 /nfs/dbraw/zinc/14/06/53/207140653.db2.gz QMGKZPBBPBPRPU-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019588598 207141406 /nfs/dbraw/zinc/14/14/06/207141406.db2.gz IPRAHHLQHICPBC-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)Cc1nonc1N ZINC000019590809 207141757 /nfs/dbraw/zinc/14/17/57/207141757.db2.gz MIFWJSVYDFYWDO-WDYCEAGBSA-N 0 3 387.459 2.202 40 0 GEABHN COc1ccc(OCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019590678 207141940 /nfs/dbraw/zinc/14/19/40/207141940.db2.gz JULBJQMHTAGXRE-UHFFFAOYSA-N 0 3 396.491 2.258 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cccc4cccnc42)C3)C1 ZINC000019711095 207152429 /nfs/dbraw/zinc/15/24/29/207152429.db2.gz AOHYZIATKDPMKC-INIZCTEOSA-N 0 3 376.464 2.292 40 0 GEABHN CCOc1ccc([C@H](C)N(C)C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000019747436 207158316 /nfs/dbraw/zinc/15/83/16/207158316.db2.gz WXXOFKYBMDICDU-INIZCTEOSA-N 0 3 387.524 2.405 40 0 GEABHN COc1ccc(CN2CCC[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000019743586 207158475 /nfs/dbraw/zinc/15/84/75/207158475.db2.gz PKVNTWMZMZQEJV-INIZCTEOSA-N 0 3 394.475 2.020 40 0 GEABHN CN1CCC(C(=O)N2CCN(c3ccccc3)C[C@H](Cc3cnccn3)C2)CC1 ZINC000072355243 208000182 /nfs/dbraw/zinc/00/01/82/208000182.db2.gz RIXNHDSGXFFASV-IBGZPJMESA-N 0 3 393.535 2.326 40 0 GEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)COc1ccccc1)C2 ZINC000072372214 208005175 /nfs/dbraw/zinc/00/51/75/208005175.db2.gz GSKPNHWZJLALKS-UHFFFAOYSA-N 0 3 395.507 2.291 40 0 GEABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096056141 208257561 /nfs/dbraw/zinc/25/75/61/208257561.db2.gz VQMCQFAZNPUAIK-UGKGYDQZSA-N 0 3 395.507 2.314 40 0 GEABHN O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096243587 208292860 /nfs/dbraw/zinc/29/28/60/208292860.db2.gz HNTHKYPCCOTHJV-QGZVFWFLSA-N 0 3 386.521 2.361 40 0 GEABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)NCc1ccccc1 ZINC000096251084 208294676 /nfs/dbraw/zinc/29/46/76/208294676.db2.gz SCCNGANSHWRJFZ-GUDVDZBRSA-N 0 3 378.538 2.084 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306134082 209102854 /nfs/dbraw/zinc/10/28/54/209102854.db2.gz NDCKPCVCHCONKN-JKSUJKDBSA-N 0 3 392.438 2.369 40 0 GEABHN CCN1CCC(N(CCCO)Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013992518 208787617 /nfs/dbraw/zinc/78/76/17/208787617.db2.gz SILZYMTWGOTEEW-UHFFFAOYSA-N 0 3 379.892 2.454 40 0 GEABHN COCCN1CC[C@]2(CN(Cc3ccncc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124325 209097181 /nfs/dbraw/zinc/09/71/81/209097181.db2.gz BMSLTEYOVUWYPU-SIKLNZKXSA-N 0 3 397.523 2.324 40 0 GEABHN Cn1c(=O)c2ccc([C@@H]3CCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000257215737 209057494 /nfs/dbraw/zinc/05/74/94/209057494.db2.gz CRKUPYLRNRKARH-MRXNPFEDSA-N 0 3 389.459 2.103 40 0 GEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCCCN2CCOCC2)c1 ZINC000257217096 209057665 /nfs/dbraw/zinc/05/76/65/209057665.db2.gz CXLDPFJOSBTOHT-UHFFFAOYSA-N 0 3 382.508 2.262 40 0 GEABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000257262369 209062514 /nfs/dbraw/zinc/06/25/14/209062514.db2.gz LLDLWZPHTFPQCF-QFIPXVFZSA-N 0 3 397.523 2.173 40 0 GEABHN Cc1nc(N)sc1C(=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257285865 209069871 /nfs/dbraw/zinc/06/98/71/209069871.db2.gz PJGLMWGHJYWKHZ-INIZCTEOSA-N 0 3 388.484 2.122 40 0 GEABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257322304 209077187 /nfs/dbraw/zinc/07/71/87/209077187.db2.gz WFKQXHYBDTYTCV-FQEVSTJZSA-N 0 3 394.519 2.337 40 0 GEABHN COCCOc1cc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)ccn1 ZINC000035424795 560080426 /nfs/dbraw/zinc/08/04/26/560080426.db2.gz YLZXIQYSPMWZBQ-KRWDZBQOSA-N 0 3 387.484 2.388 40 0 biogenic,in-vitro GEABHN CCOCCOc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585270519 570239350 /nfs/dbraw/zinc/23/93/50/570239350.db2.gz LOGJCBUQDADLBR-OAQYLSRUSA-N 0 3 389.471 2.367 40 0 GEABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585284928 570254313 /nfs/dbraw/zinc/25/43/13/570254313.db2.gz AXVSCUQQCWJISI-OAQYLSRUSA-N 0 3 392.496 2.058 40 0 GEABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000022075686 570321803 /nfs/dbraw/zinc/32/18/03/570321803.db2.gz ZHRBCMQKETZOOT-INIZCTEOSA-N 0 3 378.856 2.426 40 0 GEABHN COc1cc(CNCCN(C)C)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108312 570325676 /nfs/dbraw/zinc/32/56/76/570325676.db2.gz GAGZXULUWLBKJM-UHFFFAOYSA-N 0 3 396.495 2.210 40 0 GEABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000036741281 570569235 /nfs/dbraw/zinc/56/92/35/570569235.db2.gz KXJZTRDAMYIGTO-AVRDEDQJSA-N 0 3 385.460 2.483 40 0 GEABHN COCCNC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133536 570618032 /nfs/dbraw/zinc/61/80/32/570618032.db2.gz ZVTXZFSUXBZLAU-UHFFFAOYSA-N 0 3 390.553 2.029 40 0 GEABHN CCc1ncc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cn1 ZINC000012183463 570619759 /nfs/dbraw/zinc/61/97/59/570619759.db2.gz HWGIQRQENBJNPQ-DENIHFKCSA-N 0 3 383.540 2.114 40 0 GEABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000044901916 570640865 /nfs/dbraw/zinc/64/08/65/570640865.db2.gz FZRWHRXVIASCTC-CALCHBBNSA-N 0 3 393.553 2.460 40 0 GEABHN CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711802 570778105 /nfs/dbraw/zinc/77/81/05/570778105.db2.gz JJDGDTGUHIIMKN-SFHVURJKSA-N 0 3 381.542 2.223 40 0 GEABHN CN(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010111596 570805937 /nfs/dbraw/zinc/80/59/37/570805937.db2.gz GJXVURLMKKUJOA-UHFFFAOYSA-N 0 3 395.912 2.213 40 0 GEABHN NC[C@@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216604 570816990 /nfs/dbraw/zinc/81/69/90/570816990.db2.gz MLALTAJACZOZPE-HRCADAONSA-N 0 3 381.295 2.045 40 0 GEABHN NCC1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215543 570817012 /nfs/dbraw/zinc/81/70/12/570817012.db2.gz BEPBZYPFWLQYCH-HOTGVXAUSA-N 0 3 395.322 2.293 40 0 GEABHN NC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216689 570817034 /nfs/dbraw/zinc/81/70/34/570817034.db2.gz MLALTAJACZOZPE-JYJNAYRXSA-N 0 3 381.295 2.045 40 0 GEABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOCC(=O)N(C)C ZINC000585105004 570934114 /nfs/dbraw/zinc/93/41/14/570934114.db2.gz NRIRGHBXJZSROR-MRXNPFEDSA-N 0 3 381.542 2.318 40 0 GEABHN Cn1c2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2sc1=O ZINC000225676777 532486924 /nfs/dbraw/zinc/48/69/24/532486924.db2.gz MMTBNSYQQGYFBE-UHFFFAOYSA-N 0 3 383.539 2.144 40 0 GEABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCCC3)cc2sc1=O ZINC000225728451 532488100 /nfs/dbraw/zinc/48/81/00/532488100.db2.gz KFMFJPDPGJRWLG-UHFFFAOYSA-N 0 3 383.539 2.237 40 0 GEABHN C[C@@H](C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2)N1CCCC1=O ZINC000019077469 207101737 /nfs/dbraw/zinc/10/17/37/207101737.db2.gz GGQJQQLFCOJWJI-GENZYMQKSA-N 0 3 385.508 2.319 40 0 GEABHN Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CCN(C)C)c4nccnc34)C2)cc1 ZINC000019209259 207106158 /nfs/dbraw/zinc/10/61/58/207106158.db2.gz CUIJCINLUKOSDS-GOSISDBHSA-N 0 3 392.507 2.255 40 0 GEABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019500950 207126479 /nfs/dbraw/zinc/12/64/79/207126479.db2.gz PHDAIIJSOBQNCM-AZUAARDMSA-N 0 3 399.539 2.309 40 0 GEABHN COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1OC ZINC000019560520 207133979 /nfs/dbraw/zinc/13/39/79/207133979.db2.gz WCQNJKPUXZSCMW-KRWDZBQOSA-N 0 3 382.464 2.046 40 0 GEABHN COc1cccc2c1OC[C@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CCNC3)C2 ZINC000019568290 207136483 /nfs/dbraw/zinc/13/64/83/207136483.db2.gz AJSHHVCXIFMHTI-CRAIPNDOSA-N 0 3 394.475 2.046 40 0 GEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)n1 ZINC000019572981 207137833 /nfs/dbraw/zinc/13/78/33/207137833.db2.gz KBAKDEUPGAAYMF-IRXDYDNUSA-N 0 3 382.512 2.245 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019574121 207138631 /nfs/dbraw/zinc/13/86/31/207138631.db2.gz NKRDJEOXLXNEFB-GOSISDBHSA-N 0 3 396.539 2.464 40 0 GEABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nnc3n2CCNCC3)C1 ZINC000019709243 207149783 /nfs/dbraw/zinc/14/97/83/207149783.db2.gz BPGHKGGNFLZPRW-HNNXBMFYSA-N 0 3 379.464 2.498 40 0 GEABHN COc1ccc(OCC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019588585 207141285 /nfs/dbraw/zinc/14/12/85/207141285.db2.gz WOWGIGNPUCOSEU-INIZCTEOSA-N 0 3 396.491 2.258 40 0 GEABHN CN1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590587 207141683 /nfs/dbraw/zinc/14/16/83/207141683.db2.gz CBYOVILPSPURQQ-QGZVFWFLSA-N 0 3 376.457 2.129 40 0 GEABHN CN1CCN(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000019590040 207141862 /nfs/dbraw/zinc/14/18/62/207141862.db2.gz FMGVCYWWQGNQLM-UHFFFAOYSA-N 0 3 379.468 2.243 40 0 GEABHN COc1ccccc1CCC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590602 207142549 /nfs/dbraw/zinc/14/25/49/207142549.db2.gz QMGKZPBBPBPRPU-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN COc1cccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590418 207142788 /nfs/dbraw/zinc/14/27/88/207142788.db2.gz LTWSGYBGFBCCJQ-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN Cc1nc2cc3c(cc2n1CC(=O)NC(C)(C)CN1CCCCC1)OCCO3 ZINC000019718227 207155434 /nfs/dbraw/zinc/15/54/34/207155434.db2.gz NXQDLNNIMIQDKO-UHFFFAOYSA-N 0 3 386.496 2.497 40 0 GEABHN CC(C)CN1CCC[C@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000019743487 207158363 /nfs/dbraw/zinc/15/83/63/207158363.db2.gz SEPXGYRIFUWTMF-LBPRGKRZSA-N 0 3 398.429 2.486 40 0 GEABHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000030857038 207376399 /nfs/dbraw/zinc/37/63/99/207376399.db2.gz QSSGRUIKNZZHQW-HZPDHXFCSA-N 0 3 382.526 2.261 40 0 GEABHN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944483 207377744 /nfs/dbraw/zinc/37/77/44/207377744.db2.gz BHYNQDRLIAMCBJ-GOSISDBHSA-N 0 3 379.932 2.391 40 0 GEABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096036816 208256494 /nfs/dbraw/zinc/25/64/94/208256494.db2.gz XBQRUGJQTAJMEV-KRWDZBQOSA-N 0 3 386.521 2.457 40 0 GEABHN CN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000097952851 208362801 /nfs/dbraw/zinc/36/28/01/208362801.db2.gz BSFGXTDHTCMNDB-NRFANRHFSA-N 0 3 381.480 2.021 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)CC1 ZINC000100232413 208374230 /nfs/dbraw/zinc/37/42/30/208374230.db2.gz XVUUOIARIWWSBI-OAGGEKHMSA-N 0 3 388.512 2.081 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)CC1 ZINC000100232413 208374236 /nfs/dbraw/zinc/37/42/36/208374236.db2.gz XVUUOIARIWWSBI-OAGGEKHMSA-N 0 3 388.512 2.081 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)CC1 ZINC000100232413 208374242 /nfs/dbraw/zinc/37/42/42/208374242.db2.gz XVUUOIARIWWSBI-OAGGEKHMSA-N 0 3 388.512 2.081 40 0 GEABHN COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000306135528 209103270 /nfs/dbraw/zinc/10/32/70/209103270.db2.gz OTZZFNRMIVNMKC-UHFFFAOYSA-N 0 3 385.468 2.168 40 0 GEABHN CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(CC)cc3)C2)O1 ZINC000306131484 209101266 /nfs/dbraw/zinc/10/12/66/209101266.db2.gz KGARCYROPSFGDG-TZIWHRDSSA-N 0 3 375.513 2.318 40 0 GEABHN COCCN1CC[C@@]2(CN(Cc3cccnc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130771 209099637 /nfs/dbraw/zinc/09/96/37/209099637.db2.gz JOYBINWRWBOHDF-UGKGYDQZSA-N 0 3 397.523 2.324 40 0 GEABHN O=C(COCC[C@H]1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1 ZINC000306130889 209099618 /nfs/dbraw/zinc/09/96/18/209099618.db2.gz JRXFTDLPBAQVEF-IHPCNDPISA-N 0 3 376.472 2.302 40 0 GEABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000306125383 209097312 /nfs/dbraw/zinc/09/73/12/209097312.db2.gz COHLOXXGUKULSX-PGRDOPGGSA-N 0 3 395.507 2.314 40 0 GEABHN Cc1ccccc1CN1CC[C@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244167 136185716 /nfs/dbraw/zinc/18/57/16/136185716.db2.gz HJWVCGPAGGNFNM-QFIPXVFZSA-N 0 3 380.492 2.296 40 0 GEABHN NC(=O)COc1ccc(OCc2ccccc2)cc1CN1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257316291 209074901 /nfs/dbraw/zinc/07/49/01/209074901.db2.gz VEYXPFKDXXEOAD-RUYXUALKSA-N 0 3 396.487 2.332 40 0 GEABHN O=C(c1n[nH]c2c1CCCCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390818 222246993 /nfs/dbraw/zinc/24/69/93/222246993.db2.gz HLWMNBBKUMGYPE-SFHVURJKSA-N 0 3 380.496 2.482 40 0 GEABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290449 560029274 /nfs/dbraw/zinc/02/92/74/560029274.db2.gz ZYLHCAZPLPSWJK-BJKOFHAPSA-N 0 3 391.559 2.277 40 0 biogenic,in-vitro GEABHN CCOCCOc1ccc(CNC[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257301767 570488777 /nfs/dbraw/zinc/48/87/77/570488777.db2.gz RZWIFARGLIGBIL-NRFANRHFSA-N 0 3 386.496 2.013 40 0 GEABHN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCN(C)CC2)cc1 ZINC000224332513 570509339 /nfs/dbraw/zinc/50/93/39/570509339.db2.gz YXXLZHGGSMRNOI-RGEXLXHISA-N 0 3 383.448 2.270 40 0 GEABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000010111517 570565350 /nfs/dbraw/zinc/56/53/50/570565350.db2.gz CNCQMWSVOCDKBE-UHFFFAOYSA-N 0 3 389.521 2.177 40 0 GEABHN CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000012366362 570647168 /nfs/dbraw/zinc/64/71/68/570647168.db2.gz ZYRKWIWUOSUPQM-NHCUHLMSSA-N 0 3 395.503 2.085 40 0 GEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 ZINC000019760662 570888593 /nfs/dbraw/zinc/88/85/93/570888593.db2.gz HWKMMRLWAGLZFU-GOSISDBHSA-N 0 3 388.560 2.190 40 0 GEABHN CN(CC(=O)N(C)C1CCCCC1)Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760213 570899316 /nfs/dbraw/zinc/89/93/16/570899316.db2.gz DQSMDGTUGRYLDX-SFHVURJKSA-N 0 3 388.560 2.190 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)CC1 ZINC000257332114 570909610 /nfs/dbraw/zinc/90/96/10/570909610.db2.gz XVUUOIARIWWSBI-JYJNAYRXSA-N 0 3 388.512 2.081 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)CC1 ZINC000257332114 570909612 /nfs/dbraw/zinc/90/96/12/570909612.db2.gz XVUUOIARIWWSBI-JYJNAYRXSA-N 0 3 388.512 2.081 40 0 GEABHN CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCCN2CC(=O)N(C)C)CC1 ZINC000585100863 570928489 /nfs/dbraw/zinc/92/84/89/570928489.db2.gz ZHWOWJMEIYSMIA-LJQANCHMSA-N 0 3 393.557 2.210 40 0 GEABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Br ZINC000007728072 531543217 /nfs/dbraw/zinc/54/32/17/531543217.db2.gz YIHDYVJXRQLRPM-UHFFFAOYSA-N 0 3 377.304 2.222 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218620999 532483023 /nfs/dbraw/zinc/48/30/23/532483023.db2.gz ORHPMQATDKFAGE-JJRVBVJISA-N 0 3 388.917 2.463 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242750560 532518017 /nfs/dbraw/zinc/51/80/17/532518017.db2.gz ZTGXNBPVGAEIBE-CPUCHLNUSA-N 0 3 388.917 2.463 40 0 GEABHN COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019078535 207100717 /nfs/dbraw/zinc/10/07/17/207100717.db2.gz XRIQTEXILICJDS-HOTGVXAUSA-N 0 3 396.491 2.304 40 0 GEABHN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019119047 207102164 /nfs/dbraw/zinc/10/21/64/207102164.db2.gz BLXSFJVYLYXGIS-SWLSCSKDSA-N 0 3 390.438 2.490 40 0 GEABHN Cn1nc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1C(F)(F)F ZINC000019288747 207113937 /nfs/dbraw/zinc/11/39/37/207113937.db2.gz RZDGKFOLPQOOJD-CQSZACIVSA-N 0 3 394.401 2.242 40 0 GEABHN O=C(CCn1ncc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019376599 207120315 /nfs/dbraw/zinc/12/03/15/207120315.db2.gz BWKDITRCHPBENG-IBGZPJMESA-N 0 3 376.464 2.226 40 0 GEABHN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019457726 207123648 /nfs/dbraw/zinc/12/36/48/207123648.db2.gz WBQBDFJTFGSZGC-YWZLYKJASA-N 0 3 390.491 2.472 40 0 GEABHN C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCNC5)C3)ccc2O1 ZINC000019497932 207125311 /nfs/dbraw/zinc/12/53/11/207125311.db2.gz FWOWRNZPEXRRCB-HOCLYGCPSA-N 0 3 378.476 2.466 40 0 GEABHN CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019523567 207128033 /nfs/dbraw/zinc/12/80/33/207128033.db2.gz JASRDWKQRXYGAB-CRAIPNDOSA-N 0 3 382.512 2.271 40 0 GEABHN COc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1OC ZINC000019560464 207134059 /nfs/dbraw/zinc/13/40/59/207134059.db2.gz DWKISZXMWIJKJJ-KRWDZBQOSA-N 0 3 382.464 2.046 40 0 GEABHN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)ccc1F ZINC000019570782 207136535 /nfs/dbraw/zinc/13/65/35/207136535.db2.gz RIQKDYLFIFZQMB-SFHVURJKSA-N 0 3 390.484 2.486 40 0 GEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)COc3ccccc3)C2)c2cccnc21 ZINC000019583213 207140071 /nfs/dbraw/zinc/14/00/71/207140071.db2.gz UMGZKEYIXUNDAP-KRWDZBQOSA-N 0 3 393.491 2.388 40 0 GEABHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019571537 207137039 /nfs/dbraw/zinc/13/70/39/207137039.db2.gz XHGGGUSKOOYVRI-QGZVFWFLSA-N 0 3 390.484 2.486 40 0 GEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572710 207137905 /nfs/dbraw/zinc/13/79/05/207137905.db2.gz RCOGPZSIJOSUMX-SJORKVTESA-N 0 3 382.512 2.245 40 0 GEABHN COc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(OC)c1 ZINC000019551922 207132026 /nfs/dbraw/zinc/13/20/26/207132026.db2.gz WZXYSKSTVRWISW-AWEZNQCLSA-N 0 3 382.464 2.159 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(C)c1C ZINC000019556764 207132802 /nfs/dbraw/zinc/13/28/02/207132802.db2.gz XZYIUWJBSDJNMY-KDOFPFPSSA-N 0 3 396.539 2.286 40 0 GEABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556804 207133297 /nfs/dbraw/zinc/13/32/97/207133297.db2.gz YISQSVLGGWUPLE-YJYMSZOUSA-N 0 3 382.512 2.244 40 0 GEABHN Cc1cc(NCCNC(=O)Cn2c(C)c(C)c(C)nc2=O)c2ccccc2n1 ZINC000019663984 207147331 /nfs/dbraw/zinc/14/73/31/207147331.db2.gz OVHHQIXEJSPOLG-UHFFFAOYSA-N 0 3 379.464 2.253 40 0 GEABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccn3)c2)CC1 ZINC000019698155 207149010 /nfs/dbraw/zinc/14/90/10/207149010.db2.gz GXNYQFNCUNXMAJ-NRFANRHFSA-N 0 3 393.491 2.431 40 0 GEABHN COc1cccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590419 207140722 /nfs/dbraw/zinc/14/07/22/207140722.db2.gz LTWSGYBGFBCCJQ-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1OC ZINC000019590610 207142419 /nfs/dbraw/zinc/14/24/19/207142419.db2.gz HASUSJNGWIYJOZ-MRXNPFEDSA-N 0 3 396.491 2.040 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)CC3)C1 ZINC000019709252 207151004 /nfs/dbraw/zinc/15/10/04/207151004.db2.gz INXIQBONICDJKU-KRWDZBQOSA-N 0 3 390.491 2.334 40 0 GEABHN CCc1cc2c(ncn(CC(=O)NCC(C)(C)N3CCCCC3)c2=O)s1 ZINC000019714834 207152525 /nfs/dbraw/zinc/15/25/25/207152525.db2.gz BYGAPMKMUJPDRD-UHFFFAOYSA-N 0 3 376.526 2.401 40 0 GEABHN Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3CC(=O)N(C)C)CC2)cs1 ZINC000019746320 207156717 /nfs/dbraw/zinc/15/67/17/207156717.db2.gz VGDJHYQFWVXRSC-SFHVURJKSA-N 0 3 392.569 2.175 40 0 GEABHN NC(=O)CCN1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352399 208001386 /nfs/dbraw/zinc/00/13/86/208001386.db2.gz ALUMJBFVAJYSAZ-AWEZNQCLSA-N 0 3 387.505 2.038 40 0 GEABHN CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036488 208253410 /nfs/dbraw/zinc/25/34/10/208253410.db2.gz WLUIXWZLXIMCTC-FQEVSTJZSA-N 0 3 375.538 2.431 40 0 GEABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)o1 ZINC000096036772 208256032 /nfs/dbraw/zinc/25/60/32/208256032.db2.gz YXQQPJQWGVYCJA-SFHVURJKSA-N 0 3 386.496 2.447 40 0 GEABHN COc1ccc(CN2CCC3(CC2)CN(Cc2ccccn2)C(=O)CO3)cc1 ZINC000096049211 208256251 /nfs/dbraw/zinc/25/62/51/208256251.db2.gz KKJDJBINPPTDLO-UHFFFAOYSA-N 0 3 381.476 2.484 40 0 GEABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075607 208258733 /nfs/dbraw/zinc/25/87/33/208258733.db2.gz VVJSIFHCCMJGCB-MBSDFSHPSA-N 0 3 396.535 2.427 40 0 GEABHN CN(C)CCN1[C@]2(CCN(Cc3ccsc3)C2)c2ccccc2S1(=O)=O ZINC000096261891 208297704 /nfs/dbraw/zinc/29/77/04/208297704.db2.gz XADYFQSFSYGYFE-IBGZPJMESA-N 0 3 391.562 2.415 40 0 GEABHN Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NCC5CC5)n4C3)CC2)n1 ZINC000306138150 209104201 /nfs/dbraw/zinc/10/42/01/209104201.db2.gz RQSUFDGBEQPNIZ-UHFFFAOYSA-N 0 3 394.523 2.350 40 0 GEABHN CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137530 209103564 /nfs/dbraw/zinc/10/35/64/209103564.db2.gz QZEVCHAYKHEUGY-DENIHFKCSA-N 0 3 396.539 2.426 40 0 GEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccoc3)CC1)COC2 ZINC000306135573 209103508 /nfs/dbraw/zinc/10/35/08/209103508.db2.gz OVBIUQPEWZXDTI-HNNXBMFYSA-N 0 3 387.484 2.212 40 0 GEABHN COCCN1CC2(CCN(C3CCC3)CC2)COc2ccccc2S1(=O)=O ZINC000306133452 209101980 /nfs/dbraw/zinc/10/19/80/209101980.db2.gz MLXHZDPAPCVAOF-UHFFFAOYSA-N 0 3 394.537 2.351 40 0 GEABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccc(F)cc1F ZINC000095252491 209005086 /nfs/dbraw/zinc/00/50/86/209005086.db2.gz OMBWYWYISNHSHM-YQQAZPJKSA-N 0 3 394.466 2.129 40 0 biogenic,in-vitro GEABHN COCCN1CC[C@@]2(CN(Cc3ccncc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124326 209096524 /nfs/dbraw/zinc/09/65/24/209096524.db2.gz BMSLTEYOVUWYPU-UGKGYDQZSA-N 0 3 397.523 2.324 40 0 GEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cccc(OC)n2)COC1 ZINC000096112756 209009389 /nfs/dbraw/zinc/00/93/89/209009389.db2.gz BWTVKIABXAQSHE-HNNXBMFYSA-N 0 3 382.420 2.088 40 0 biogenic,in-vitro GEABHN O=S(=O)(NC[C@H]1CC2(CCN(Cc3ccccn3)CC2)O1)c1ccccc1 ZINC000247340037 209026402 /nfs/dbraw/zinc/02/64/02/209026402.db2.gz RZWOFDQRKRBHIT-GOSISDBHSA-N 0 3 387.505 2.184 40 0 GEABHN O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257210294 209055131 /nfs/dbraw/zinc/05/51/31/209055131.db2.gz BTZMBORTNMNFQI-IBGZPJMESA-N 0 3 382.451 2.409 40 0 GEABHN COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3cnccn3)cc(C)n2)CC1 ZINC000257338324 209078253 /nfs/dbraw/zinc/07/82/53/209078253.db2.gz YWXGBQZHJFOJHV-MRXNPFEDSA-N 0 3 398.511 2.254 40 0 GEABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290450 560029173 /nfs/dbraw/zinc/02/91/73/560029173.db2.gz ZYLHCAZPLPSWJK-DNQXCXABSA-N 0 3 391.559 2.277 40 0 biogenic,in-vitro GEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F ZINC000585262171 570229642 /nfs/dbraw/zinc/22/96/42/570229642.db2.gz BZZZTQSTNSSSCW-YRXWBPOGSA-N 0 3 376.403 2.206 40 0 GEABHN COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCC2)cc1 ZINC000585262380 570230457 /nfs/dbraw/zinc/23/04/57/570230457.db2.gz HAFYAXPWRHPUAP-CZYKHXBRSA-N 0 3 396.487 2.470 40 0 GEABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287583 570259013 /nfs/dbraw/zinc/25/90/13/570259013.db2.gz OWEMJQACHFXWSO-PXNSSMCTSA-N 0 3 385.451 2.227 40 0 GEABHN CN(C)C(=O)c1ccc(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291689 570260255 /nfs/dbraw/zinc/26/02/55/570260255.db2.gz BDGDJBSIYGWLAC-VAMGGRTRSA-N 0 3 388.895 2.363 40 0 GEABHN C/C=C1\CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC[C@H](O)CO)cc21 ZINC000004366954 570371446 /nfs/dbraw/zinc/37/14/46/570371446.db2.gz MFOCUXNEPWLHOJ-GFUJKDQISA-N 0 3 384.476 2.041 40 0 GEABHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000013813103 570426313 /nfs/dbraw/zinc/42/63/13/570426313.db2.gz RRKTZKIUPZVBMF-VCPPCEDPSA-N 0 3 394.471 2.110 40 0 GEABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3[C@H](O)[C@@]21C ZINC000004063791 570614733 /nfs/dbraw/zinc/61/47/33/570614733.db2.gz NIQPEHCERNDLQS-AHBSSGKESA-N 0 3 391.508 2.110 40 0 GEABHN O=C1CCc2cc(S(=O)(=O)N3CCC[C@H](CN4CCCC4)C3)ccc2N1 ZINC000012239378 570629963 /nfs/dbraw/zinc/62/99/63/570629963.db2.gz QSFABPGFCLWAJE-OAHLLOKOSA-N 0 3 377.510 2.068 40 0 GEABHN COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)cc1OC ZINC000012329250 570644174 /nfs/dbraw/zinc/64/41/74/570644174.db2.gz OZJOLXZBISSDSA-INIZCTEOSA-N 0 3 395.467 2.060 40 0 GEABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3cccc(=O)[nH]3)CC2)cc1 ZINC000257241184 570768338 /nfs/dbraw/zinc/76/83/38/570768338.db2.gz HWZAOUGDULXGDC-JOCHJYFZSA-N 0 3 399.491 2.285 40 0 GEABHN Cc1c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)sc2ncn(C)c(=O)c12 ZINC000257242214 570768383 /nfs/dbraw/zinc/76/83/83/570768383.db2.gz IBNSHLQMDLFTBM-YGGLWSGOSA-N 0 3 386.521 2.391 40 0 GEABHN COc1cc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cc(OC)c1 ZINC000328961604 571047303 /nfs/dbraw/zinc/04/73/03/571047303.db2.gz BEMXWBIEHYZILL-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019551044 210261766 /nfs/dbraw/zinc/26/17/66/210261766.db2.gz MKGUKZJLQAWEAQ-CQSZACIVSA-N 0 3 382.464 2.159 40 0 GEABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552196 210260944 /nfs/dbraw/zinc/26/09/44/210260944.db2.gz OTWTZFHASQFAKE-HNNXBMFYSA-N 0 3 384.480 2.377 40 0 GEABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552196 210260949 /nfs/dbraw/zinc/26/09/49/210260949.db2.gz OTWTZFHASQFAKE-HNNXBMFYSA-N 0 3 384.480 2.377 40 0 GEABHN CCN1CCC[C@@H]1CN(Cc1ccco1)Cc1cnc(N2CCOCC2)nc1 ZINC000019527199 210258037 /nfs/dbraw/zinc/25/80/37/210258037.db2.gz RMYVDNGCWPMSBE-LJQANCHMSA-N 0 3 385.512 2.393 40 0 GEABHN C[C@@H](C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@H+](C)C3)CC1)c1ccccc1 ZINC000019459102 210250131 /nfs/dbraw/zinc/25/01/31/210250131.db2.gz ZFPVXNXNPZLFQU-OAHLLOKOSA-N 0 3 380.492 2.268 40 0 GEABHN C[C@@H](C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@@H+](C)C3)CC1)c1ccccc1 ZINC000019459102 210250135 /nfs/dbraw/zinc/25/01/35/210250135.db2.gz ZFPVXNXNPZLFQU-OAHLLOKOSA-N 0 3 380.492 2.268 40 0 GEABHN O=S(=O)(Cc1cccc(F)c1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019293944 210239525 /nfs/dbraw/zinc/23/95/25/210239525.db2.gz PMSCIASYZLFKPP-SFHVURJKSA-N 0 3 390.484 2.318 40 0 GEABHN O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292283 210238219 /nfs/dbraw/zinc/23/82/19/210238219.db2.gz GZWKFLDZUDQEDH-DOTOQJQBSA-N 0 3 398.507 2.094 40 0 GEABHN COCCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)ccc1OC ZINC000019286349 210234980 /nfs/dbraw/zinc/23/49/80/210234980.db2.gz BYYOUFNRUSEXSY-SJORKVTESA-N 0 3 399.491 2.244 40 0 GEABHN COCCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)ccc1OC ZINC000019286349 210234984 /nfs/dbraw/zinc/23/49/84/210234984.db2.gz BYYOUFNRUSEXSY-SJORKVTESA-N 0 3 399.491 2.244 40 0 GEABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(=S)NC ZINC000035314964 209193404 /nfs/dbraw/zinc/19/34/04/209193404.db2.gz NUZSUBIHYNJOEK-KRWDZBQOSA-N 0 3 397.552 2.377 40 0 GEABHN COCCN1CC[C@@]2(CN(Cc3ccccn3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143446 212055896 /nfs/dbraw/zinc/05/58/96/212055896.db2.gz YCNZVGSDCHUOIV-UGKGYDQZSA-N 0 3 397.523 2.324 40 0 GEABHN CC(C)(C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccco3)CC1)COC2 ZINC000306138142 212053769 /nfs/dbraw/zinc/05/37/69/212053769.db2.gz RQKDIWFVKQXKLZ-UHFFFAOYSA-N 0 3 387.484 2.212 40 0 GEABHN COc1ccc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)cc1 ZINC000306132099 212048741 /nfs/dbraw/zinc/04/87/41/212048741.db2.gz KYJQFGTWLFIHQA-UHFFFAOYSA-N 0 3 395.507 2.408 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccsc4)C[C@@H]32)cc1 ZINC000306127404 212047809 /nfs/dbraw/zinc/04/78/09/212047809.db2.gz FYAMFTZUHMUBKD-QZTJIDSGSA-N 0 3 394.500 2.052 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccoc4)C[C@@H]2C3)cc1 ZINC000306123994 212045851 /nfs/dbraw/zinc/04/58/51/212045851.db2.gz BCNRAKGNECZNCV-HOTGVXAUSA-N 0 3 393.447 2.436 40 0 GEABHN CC(C)CNC(=O)c1cn2c(nc1=O)[C@]1(CCN(Cc3ccccc3)C1)CC2 ZINC000306126808 212044487 /nfs/dbraw/zinc/04/44/87/212044487.db2.gz FFVUHIWXWGKSGL-JOCHJYFZSA-N 0 3 380.492 2.177 40 0 GEABHN Cc1cccc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124055 212044505 /nfs/dbraw/zinc/04/45/05/212044505.db2.gz BEIHAIBDICMUGJ-KRWDZBQOSA-N 0 3 378.480 2.259 40 0 GEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000257283426 212016831 /nfs/dbraw/zinc/01/68/31/212016831.db2.gz OYGNORLZUFRTJZ-NRFANRHFSA-N 0 3 387.455 2.416 40 0 GEABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccc(OC)cc1OC ZINC000257210784 212004091 /nfs/dbraw/zinc/00/40/91/212004091.db2.gz BWECVLQMCZDWSN-XLIONFOSSA-N 0 3 391.512 2.023 40 0 GEABHN CN(C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(C(F)(F)F)n1 ZINC000329044253 209157240 /nfs/dbraw/zinc/15/72/40/209157240.db2.gz SVRKATRIOBIMKV-UHFFFAOYSA-N 0 3 379.308 2.474 40 0 GEABHN CN(C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(C(F)(F)F)n1 ZINC000328980486 209154184 /nfs/dbraw/zinc/15/41/84/209154184.db2.gz GNXMFCHAURYAKJ-UHFFFAOYSA-N 0 3 375.345 2.203 40 0 GEABHN Cc1cnc(CNC(=O)c2ccc3ccc(N4CCN(C(C)C)CC4)n3c2)cn1 ZINC000096267410 211328919 /nfs/dbraw/zinc/32/89/19/211328919.db2.gz ZMSOVTTYDDEXDJ-UHFFFAOYSA-N 0 3 392.507 2.498 40 0 GEABHN COCCN1CC[C@@H](c2nnc3ccc(C(=O)Nc4cccc(OC)c4)cn32)C1 ZINC000096267505 211328402 /nfs/dbraw/zinc/32/84/02/211328402.db2.gz RWLPDHFERABJMO-OAHLLOKOSA-N 0 3 395.463 2.426 40 0 GEABHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)cc1 ZINC000096263253 211327060 /nfs/dbraw/zinc/32/70/60/211327060.db2.gz HVSUWCWJYWJMAH-LJQANCHMSA-N 0 3 398.507 2.306 40 0 GEABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228822 211321065 /nfs/dbraw/zinc/32/10/65/211321065.db2.gz ICZLNWFBXYRTKB-JOCHJYFZSA-N 0 3 384.524 2.284 40 0 GEABHN Cc1cc(C)cc(CN2CC[C@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)c1 ZINC000096225572 211319932 /nfs/dbraw/zinc/31/99/32/211319932.db2.gz SYJQCWIUOYXPRI-QFIPXVFZSA-N 0 3 384.524 2.236 40 0 GEABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075606 211298984 /nfs/dbraw/zinc/29/89/84/211298984.db2.gz VVJSIFHCCMJGCB-WZONZLPQSA-N 0 3 396.535 2.427 40 0 GEABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056100 211298504 /nfs/dbraw/zinc/29/85/04/211298504.db2.gz GHTJYOFKLJNCTQ-PXNSSMCTSA-N 0 3 385.537 2.345 40 0 GEABHN CN(C)CCNC(=O)[C@@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144487 211308778 /nfs/dbraw/zinc/30/87/78/211308778.db2.gz QMBPYHGQFHRXCX-REWPJTCUSA-N 0 3 393.487 2.052 40 0 GEABHN CN1CCc2nc([C@H]3CCCN3C(=O)[C@H]3OCCc4ccccc43)ncc2C1 ZINC000072397257 211112248 /nfs/dbraw/zinc/11/22/48/211112248.db2.gz BJWIHFFJQSCGEK-UXHICEINSA-N 0 3 378.476 2.442 40 0 GEABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709242 210284352 /nfs/dbraw/zinc/28/43/52/210284352.db2.gz BPGHKGGNFLZPRW-OAHLLOKOSA-N 0 3 379.464 2.498 40 0 GEABHN CCOc1ccc(CN2CCC(c3nnc4n3CCN(C(C)=O)CC4)CC2)cc1 ZINC000019708968 210284052 /nfs/dbraw/zinc/28/40/52/210284052.db2.gz WKACTVRWRIHTET-UHFFFAOYSA-N 0 3 397.523 2.461 40 0 GEABHN COc1ccc(CC(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)cc1C ZINC000019709000 210283076 /nfs/dbraw/zinc/28/30/76/210283076.db2.gz YGANUHQUDUJQFJ-UHFFFAOYSA-N 0 3 397.523 2.032 40 0 GEABHN CCC(CC)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 ZINC000019699799 210281226 /nfs/dbraw/zinc/28/12/26/210281226.db2.gz ULZLBMMSHMTLAO-KRWDZBQOSA-N 0 3 392.544 2.208 40 0 GEABHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cc1 ZINC000019583527 210270489 /nfs/dbraw/zinc/27/04/89/210270489.db2.gz WSIPELUBWIQXPB-LJQANCHMSA-N 0 3 395.507 2.010 40 0 GEABHN COc1cccc(OC)c1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590628 210272232 /nfs/dbraw/zinc/27/22/32/210272232.db2.gz HLBPEZIIASIPBT-CQSZACIVSA-N 0 3 382.464 2.111 40 0 GEABHN COCCNc1ncccc1-c1noc([C@@H]2CCCN2C2CCN(C)CC2)n1 ZINC000035424894 560080449 /nfs/dbraw/zinc/08/04/49/560080449.db2.gz YWXNZXPKZCREGV-KRWDZBQOSA-N 0 3 386.500 2.421 40 0 biogenic,in-vitro GEABHN COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000004261816 560198046 /nfs/dbraw/zinc/19/80/46/560198046.db2.gz RRKTZKIUPZVBMF-MPCUFMIESA-N 0 3 394.471 2.110 40 0 biogenic,in-vitro GEABHN COc1cc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc(OC)c1 ZINC000329053241 570215310 /nfs/dbraw/zinc/21/53/10/570215310.db2.gz VEYRGSFLHQNGJJ-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN OC1(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCCCCC1 ZINC000585282733 570250802 /nfs/dbraw/zinc/25/08/02/570250802.db2.gz NFIXNQZWGKIHNZ-FQEVSTJZSA-N 0 3 385.451 2.492 40 0 GEABHN O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287277 570252904 /nfs/dbraw/zinc/25/29/04/570252904.db2.gz MBBQCXYZABTHLC-HKUYNNGSSA-N 0 3 387.879 2.351 40 0 GEABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585287575 570258935 /nfs/dbraw/zinc/25/89/35/570258935.db2.gz OSYPRINCTYZJOQ-ICSRJNTNSA-N 0 3 385.451 2.227 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCNCC3)nc2)cc1 ZINC000072216291 570317558 /nfs/dbraw/zinc/31/75/58/570317558.db2.gz HKSXMKTZEHHSPR-LJQANCHMSA-N 0 3 386.521 2.325 40 0 GEABHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000004534119 570382349 /nfs/dbraw/zinc/38/23/49/570382349.db2.gz RRKTZKIUPZVBMF-DJDPZAPGSA-N 0 3 394.471 2.110 40 0 GEABHN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000120348434 570390348 /nfs/dbraw/zinc/39/03/48/570390348.db2.gz AKSJFZCHRKCQNN-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN CCOCCOc1ccc(CNC[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257301768 570488996 /nfs/dbraw/zinc/48/89/96/570488996.db2.gz RZWIFARGLIGBIL-OAQYLSRUSA-N 0 3 386.496 2.013 40 0 GEABHN Cn1c2ccc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)cc2oc1=O ZINC000012239389 570630037 /nfs/dbraw/zinc/63/00/37/570630037.db2.gz CSKKNVOCVKTDIE-HNNXBMFYSA-N 0 3 393.509 2.161 40 0 GEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(C)c2)cc1 ZINC000013672970 570771176 /nfs/dbraw/zinc/77/11/76/570771176.db2.gz JUDILSSERDBGSJ-UHFFFAOYSA-N 0 3 389.521 2.177 40 0 GEABHN COC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057731119 570842838 /nfs/dbraw/zinc/84/28/38/570842838.db2.gz QMWZRJLRSYZWDN-NJSLBKSFSA-N 0 3 387.480 2.454 40 0 GEABHN CC(C)(CNC(=O)CN1C(=O)COc2c(Cl)cccc21)N1CCCCC1 ZINC000019717438 571039464 /nfs/dbraw/zinc/03/94/64/571039464.db2.gz OUVBJVAHTZYHFY-UHFFFAOYSA-N 0 3 379.888 2.446 40 0 GEABHN CCOc1ncc([C@@]2(O)CC[C@@H]3CN(CC4=CCCOC4)C[C@@H]32)c(OCC)n1 ZINC000019531781 210257785 /nfs/dbraw/zinc/25/77/85/210257785.db2.gz VJORAVXSHVQOLU-MMOPVJDHSA-N 0 3 389.496 2.150 40 0 GEABHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)C1 ZINC000019462415 210253623 /nfs/dbraw/zinc/25/36/23/210253623.db2.gz GDSIMHXIRUECLL-HDICACEKSA-N 0 3 399.535 2.490 40 0 GEABHN O=C(CCn1cnc2ccccc21)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019376688 210246890 /nfs/dbraw/zinc/24/68/90/210246890.db2.gz RMFZWVAOIKTECF-UHFFFAOYSA-N 0 3 390.491 2.268 40 0 GEABHN O=C(CCn1ncc2ccccc21)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019376594 210246479 /nfs/dbraw/zinc/24/64/79/210246479.db2.gz PSZHKYOCVXPFHW-QGZVFWFLSA-N 0 3 390.491 2.268 40 0 GEABHN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019119042 210224827 /nfs/dbraw/zinc/22/48/27/210224827.db2.gz BLXSFJVYLYXGIS-WFASDCNBSA-N 0 3 390.438 2.490 40 0 GEABHN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCN(C)C)cc1 ZINC000013668660 210075014 /nfs/dbraw/zinc/07/50/14/210075014.db2.gz YRIHFSDWTBHTRP-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccncc3)CC1)COC2 ZINC000306142251 212054765 /nfs/dbraw/zinc/05/47/65/212054765.db2.gz WURDUTZADVDKHW-INIZCTEOSA-N 0 3 398.511 2.014 40 0 GEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccnc3)CC1)COC2 ZINC000306141150 212052361 /nfs/dbraw/zinc/05/23/61/212052361.db2.gz VMOCQTZUFVTZNS-INIZCTEOSA-N 0 3 398.511 2.014 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306131794 212049909 /nfs/dbraw/zinc/04/99/09/212049909.db2.gz KPUDBCDXILSOME-QZTJIDSGSA-N 0 3 377.448 2.105 40 0 GEABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306130473 212047536 /nfs/dbraw/zinc/04/75/36/212047536.db2.gz JHKQPRLCNVRHQE-UHFFFAOYSA-N 0 3 380.496 2.042 40 0 GEABHN CC(C)C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257317219 212023439 /nfs/dbraw/zinc/02/34/39/212023439.db2.gz VIWJJVGFCJQSFV-FUDKSRODSA-N 0 3 387.568 2.248 40 0 GEABHN Cc1ccc(C(=O)N2CCC[C@](O)(CN3CCC(F)(F)CC3)CC2)c(=O)[nH]1 ZINC000257309623 212021994 /nfs/dbraw/zinc/02/19/94/212021994.db2.gz UBRBOMGOWIZXCQ-GOSISDBHSA-N 0 3 383.439 2.184 40 0 GEABHN Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCC2)cn1 ZINC000257273236 212014750 /nfs/dbraw/zinc/01/47/50/212014750.db2.gz NFUNHLVNLAHAQS-CGXNFDGLSA-N 0 3 399.466 2.304 40 0 GEABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCCN(C)C)cc2)[C@H]1O ZINC000257282646 212015501 /nfs/dbraw/zinc/01/55/01/212015501.db2.gz OUQBZXFTIIVMMV-VAMGGRTRSA-N 0 3 386.496 2.016 40 0 GEABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3cccc(=O)[nH]3)CC2)cc1 ZINC000257241185 212008401 /nfs/dbraw/zinc/00/84/01/212008401.db2.gz HWZAOUGDULXGDC-QFIPXVFZSA-N 0 3 399.491 2.285 40 0 GEABHN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCN(C)C)c1 ZINC000224122400 211853227 /nfs/dbraw/zinc/85/32/27/211853227.db2.gz DKXXCAIZJXGGHV-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096036877 211296912 /nfs/dbraw/zinc/29/69/12/211296912.db2.gz SEMHDORGFVSEOA-SFHVURJKSA-N 0 3 383.496 2.037 40 0 GEABHN CCCc1cc(C(=O)NCCn2nc([C@H]3CCN(C)C3)c3cccnc32)no1 ZINC000072391595 211111022 /nfs/dbraw/zinc/11/10/22/211111022.db2.gz ZNMDLAURTFRPRN-AWEZNQCLSA-N 0 3 382.468 2.221 40 0 GEABHN O=S(=O)(N1CCCC1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355138 211098094 /nfs/dbraw/zinc/09/80/94/211098094.db2.gz BORXJTPJIGKXMR-GOSISDBHSA-N 0 3 392.569 2.141 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)C3)C1 ZINC000019711092 210285915 /nfs/dbraw/zinc/28/59/15/210285915.db2.gz BCHFWQSQRHIJQB-OAHLLOKOSA-N 0 3 378.480 2.154 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)C3)C1 ZINC000019710984 210285560 /nfs/dbraw/zinc/28/55/60/210285560.db2.gz AWLRTDAAXDHOCH-CQSZACIVSA-N 0 3 382.443 2.364 40 0 GEABHN Cc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2[C@@H]2CCCN(C)C2)C1 ZINC000019752315 210292675 /nfs/dbraw/zinc/29/26/75/210292675.db2.gz PEIJIBWPKYUJDP-GOSISDBHSA-N 0 3 392.507 2.393 40 0 GEABHN COCCOc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1OC ZINC000019593759 210274748 /nfs/dbraw/zinc/27/47/48/210274748.db2.gz SNRPWSAMWKZKHA-IBGZPJMESA-N 0 3 398.507 2.493 40 0 GEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC(C)(C)C)C1)C2=O ZINC000019699891 210282681 /nfs/dbraw/zinc/28/26/81/210282681.db2.gz VRALZRXWHDSZGG-INIZCTEOSA-N 0 3 392.544 2.208 40 0 GEABHN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019580668 210269293 /nfs/dbraw/zinc/26/92/93/210269293.db2.gz RQTIXRIJUWDTTD-MRXNPFEDSA-N 0 3 383.496 2.408 40 0 GEABHN CN1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CCn2ncc4ccccc42)C3)C1 ZINC000019587947 210273111 /nfs/dbraw/zinc/27/31/11/210273111.db2.gz AWRYLAGGEVOOFV-QGZVFWFLSA-N 0 3 390.491 2.220 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)ncc2C1 ZINC000019590426 210271737 /nfs/dbraw/zinc/27/17/37/210271737.db2.gz BRPIQLLZJZPJFJ-CQSZACIVSA-N 0 3 380.496 2.086 40 0 GEABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514288445 560035074 /nfs/dbraw/zinc/03/50/74/560035074.db2.gz ACZQANYCKWENJO-NHCUHLMSSA-N 0 3 381.495 2.331 40 0 biogenic,in-vitro GEABHN COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000035425682 560080346 /nfs/dbraw/zinc/08/03/46/560080346.db2.gz CTQYSEXMHVTPCJ-HNNXBMFYSA-N 0 3 387.440 2.032 40 0 biogenic,in-vitro GEABHN Cc1nc(NC2CCCC2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329068671 570216431 /nfs/dbraw/zinc/21/64/31/570216431.db2.gz YRUDGHXGGDKTDJ-UHFFFAOYSA-N 0 3 387.509 2.350 40 0 GEABHN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 ZINC000585291392 570260342 /nfs/dbraw/zinc/26/03/42/570260342.db2.gz CAMCERVIJBFDHT-NADMHLTPSA-N 0 3 381.484 2.490 40 0 GEABHN CCCN1CCN(C(=O)CSc2nc(-c3ccccc3OC)n[nH]2)CC1 ZINC000025854869 570437554 /nfs/dbraw/zinc/43/75/54/570437554.db2.gz DFCPUBHATNFBPY-UHFFFAOYSA-N 0 3 375.498 2.127 40 0 GEABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@H](O)COC1CCCCC1 ZINC000257305209 570488758 /nfs/dbraw/zinc/48/87/58/570488758.db2.gz SOXORSZTHRIKKN-IBGZPJMESA-N 0 3 381.513 2.216 40 0 GEABHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000030857032 570498857 /nfs/dbraw/zinc/49/88/57/570498857.db2.gz QSSGRUIKNZZHQW-IYBDPMFKSA-N 0 3 382.526 2.261 40 0 GEABHN CCn1cncc1CN1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012221329 570628135 /nfs/dbraw/zinc/62/81/35/570628135.db2.gz MQBQFHJEOYMLEY-KRWDZBQOSA-N 0 3 395.511 2.163 40 0 GEABHN O=C(COc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cc1)N1CCOCC1 ZINC000012241295 570630068 /nfs/dbraw/zinc/63/00/68/570630068.db2.gz QSGWKBYLJOTJCH-HSZRJFAPSA-N 0 3 396.487 2.018 40 0 GEABHN CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(CCc1ccccc1)CC2 ZINC000585100571 570924838 /nfs/dbraw/zinc/92/48/38/570924838.db2.gz OAISTLKQPUOYKP-HXUWFJFHSA-N 0 3 378.538 2.121 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585104032 570929676 /nfs/dbraw/zinc/92/96/76/570929676.db2.gz KREWQSVFODBLGO-ZWKOTPCHSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585104032 570929678 /nfs/dbraw/zinc/92/96/78/570929678.db2.gz KREWQSVFODBLGO-ZWKOTPCHSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)cc1F ZINC000585104847 570934247 /nfs/dbraw/zinc/93/42/47/570934247.db2.gz UIAVPNBNWHEROA-ROUUACIJSA-N 0 3 376.472 2.212 40 0 GEABHN O=S(=O)(c1ccccc1F)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585112419 570942594 /nfs/dbraw/zinc/94/25/94/570942594.db2.gz PIIYRZGIAQJQFE-MRXNPFEDSA-N 0 3 378.473 2.254 40 0 GEABHN CCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183645 571001241 /nfs/dbraw/zinc/00/12/41/571001241.db2.gz YUTXBOFIQIZBPF-FQEVSTJZSA-N 0 3 379.504 2.470 40 0 GEABHN COc1cccc(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000019564817 210264909 /nfs/dbraw/zinc/26/49/09/210264909.db2.gz LLOUXWGRKDSXDT-UHFFFAOYSA-N 0 3 379.460 2.432 40 0 GEABHN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019557058 210263667 /nfs/dbraw/zinc/26/36/67/210263667.db2.gz DPQSLGGEPNBWCB-GOSISDBHSA-N 0 3 388.493 2.047 40 0 GEABHN COc1ccc(OC)c(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019551378 210260630 /nfs/dbraw/zinc/26/06/30/210260630.db2.gz MTVZEJPKXCFAES-GOSISDBHSA-N 0 3 382.464 2.046 40 0 GEABHN CC1CCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496866 210253517 /nfs/dbraw/zinc/25/35/17/210253517.db2.gz VMGPOUXKNNFDGB-SFHVURJKSA-N 0 3 386.540 2.408 40 0 GEABHN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019345909 210243623 /nfs/dbraw/zinc/24/36/23/210243623.db2.gz WZAJYWJTDNOYMH-YJYMSZOUSA-N 0 3 398.894 2.485 40 0 GEABHN Cn1nc2c(c1C(=O)N1CCc3nc(C4CCN(C)CC4)ncc3C1)CCCC2 ZINC000019288652 210238154 /nfs/dbraw/zinc/23/81/54/210238154.db2.gz LOXTYBXJIKORMS-UHFFFAOYSA-N 0 3 394.523 2.097 40 0 GEABHN COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019078549 210223074 /nfs/dbraw/zinc/22/30/74/210223074.db2.gz TYDNBXPDQHVYBG-HOTGVXAUSA-N 0 3 396.491 2.304 40 0 GEABHN COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)cc1CO ZINC000012329022 209941866 /nfs/dbraw/zinc/94/18/66/209941866.db2.gz VVUIZTBRKGFDKL-QGZVFWFLSA-N 0 3 394.479 2.148 40 0 GEABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N3CCCC3)nn2)cc1 ZINC000008299111 291116351 /nfs/dbraw/zinc/11/63/51/291116351.db2.gz JUCOHSMFJBUYQP-NSHGMRRFSA-N 0 3 395.507 2.287 40 0 biogenic,in-vitro GEABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218623097 532482860 /nfs/dbraw/zinc/48/28/60/532482860.db2.gz ZTGXNBPVGAEIBE-GRDNDAEWSA-N 0 3 388.917 2.463 40 0 GEABHN CN(C)C(=O)NC[C@H]1N(C(=O)Cc2ccsc2)CCCC12CCN(C)CC2 ZINC000306141049 212053017 /nfs/dbraw/zinc/05/30/17/212053017.db2.gz VKCHGJOPTOEYJS-QGZVFWFLSA-N 0 3 392.569 2.265 40 0 GEABHN Cc1cc(Nc2cc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)nc(C)n2)n[nH]1 ZINC000257273989 212013726 /nfs/dbraw/zinc/01/37/26/212013726.db2.gz NJBMLRYZZTTXMO-INIZCTEOSA-N 0 3 383.500 2.408 40 0 GEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1 ZINC000329065072 209158687 /nfs/dbraw/zinc/15/86/87/209158687.db2.gz XOPJCDPOXRJNFP-UHFFFAOYSA-N 0 3 384.871 2.459 40 0 GEABHN CN1CCN([C@H]2CC[C@](CNC(=O)C3CCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257213907 212003818 /nfs/dbraw/zinc/00/38/18/212003818.db2.gz CJPVLXLCMKPJOI-FIXSFTCYSA-N 0 3 399.579 2.392 40 0 GEABHN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000224138420 211854341 /nfs/dbraw/zinc/85/43/41/211854341.db2.gz FPWSOGNOFCJWFO-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN COc1cccc(CN2CCc3nc(C(=O)N4CCOCC4)sc3CC2)c1 ZINC000096147018 211310632 /nfs/dbraw/zinc/31/06/32/211310632.db2.gz HDCZABBCBBETBG-UHFFFAOYSA-N 0 3 387.505 2.225 40 0 GEABHN CC(C)N1CCC2(CC1)CN(S(=O)(=O)c1cn(C)cn1)Cc1ccccc12 ZINC000096242408 211322407 /nfs/dbraw/zinc/32/24/07/211322407.db2.gz ZPRFMVDOBYENGC-UHFFFAOYSA-N 0 3 388.537 2.367 40 0 GEABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228823 211321812 /nfs/dbraw/zinc/32/18/12/211321812.db2.gz ICZLNWFBXYRTKB-QFIPXVFZSA-N 0 3 384.524 2.284 40 0 GEABHN C[C@@H]1[C@@H](C)CCCN1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373082 211103599 /nfs/dbraw/zinc/10/35/99/211103599.db2.gz USPWHYGACXACMI-KSZLIROESA-N 0 3 386.540 2.406 40 0 GEABHN COCc1ccc(OC)c(CN2CCc3nnc([C@H]4CCCCN4)n3CC2)c1 ZINC000072372815 211102404 /nfs/dbraw/zinc/10/24/04/211102404.db2.gz CTHXLAFCTXHYBN-GOSISDBHSA-N 0 3 385.512 2.306 40 0 GEABHN COc1ccc2c(c1)c([C@H]1CN(Cc3cn(C)nc3C)C[C@@H]1NC(C)=O)cn2C ZINC000072395543 211109611 /nfs/dbraw/zinc/10/96/11/211109611.db2.gz PGAVOIRHHJYYGL-RTWAWAEBSA-N 0 3 395.507 2.333 40 0 GEABHN CCN1CCN(CCNC(=O)c2cc(-c3cccnc3)c3cnccc3n2)CC1 ZINC000072390605 211108417 /nfs/dbraw/zinc/10/84/17/211108417.db2.gz OHYLUCFJQXOIJI-UHFFFAOYSA-N 0 3 390.491 2.059 40 0 GEABHN CN1CCC(C(=O)N2CCN(c3ccccc3)C[C@@H](Cc3cnccn3)C2)CC1 ZINC000072355244 211099604 /nfs/dbraw/zinc/09/96/04/211099604.db2.gz RIXNHDSGXFFASV-LJQANCHMSA-N 0 3 393.535 2.326 40 0 GEABHN CNC(=O)c1cnc(C)nc1CCNCc1cnc(-c2ccc(C)cc2)nc1 ZINC000072352085 211096855 /nfs/dbraw/zinc/09/68/55/211096855.db2.gz GRLYWNSXSKRVKN-UHFFFAOYSA-N 0 3 376.464 2.242 40 0 GEABHN CSc1ccc([C@@H]2NC(=NC[C@@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104138227 533003165 /nfs/dbraw/zinc/00/31/65/533003165.db2.gz MVTLZSLAZSQWFV-WMLDXEAASA-N 0 3 385.493 2.371 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)C3)C1 ZINC000019711052 210285569 /nfs/dbraw/zinc/28/55/69/210285569.db2.gz SIWBLBVRIKBWMR-MRXNPFEDSA-N 0 3 376.464 2.292 40 0 GEABHN CCCN1CCc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719712 210289867 /nfs/dbraw/zinc/28/98/67/210289867.db2.gz HQDYGRXBNBUEOF-SFHVURJKSA-N 0 3 388.537 2.099 40 0 GEABHN CCN1CCCc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719394 210289098 /nfs/dbraw/zinc/28/90/98/210289098.db2.gz BJLNMVBQXPZUMN-SFHVURJKSA-N 0 3 388.537 2.099 40 0 GEABHN COC(=O)c1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1 ZINC000019592541 210276172 /nfs/dbraw/zinc/27/61/72/210276172.db2.gz ARDRXFMJGSYVAI-FDFHNCONSA-N 0 3 380.488 2.335 40 0 GEABHN COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590416 210273308 /nfs/dbraw/zinc/27/33/08/210273308.db2.gz TYOACNGBMBYMOY-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)cc1 ZINC000019587941 210272776 /nfs/dbraw/zinc/27/27/76/210272776.db2.gz AEUYSVVQLUTOCH-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019590530 210272832 /nfs/dbraw/zinc/27/28/32/210272832.db2.gz JBMOGSHNVAPGFT-MRXNPFEDSA-N 0 3 382.464 2.459 40 0 GEABHN COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019590531 210272045 /nfs/dbraw/zinc/27/20/45/210272045.db2.gz JBMOGSHNVAPGFT-INIZCTEOSA-N 0 3 382.464 2.459 40 0 GEABHN COc1ccc(C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 ZINC000019590638 210271630 /nfs/dbraw/zinc/27/16/30/210271630.db2.gz QBZSTJZNULSIMA-CQSZACIVSA-N 0 3 382.464 2.111 40 0 GEABHN COc1cccc(CN[C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c1 ZINC000072321891 560077293 /nfs/dbraw/zinc/07/72/93/560077293.db2.gz FTSDYEISOLXJEW-JOCBIADPSA-N 0 3 382.382 2.477 40 0 biogenic,in-vitro GEABHN CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000585269635 570237422 /nfs/dbraw/zinc/23/74/22/570237422.db2.gz FAHZXTZKFCHGMU-OALUTQOASA-N 0 3 384.467 2.378 40 0 GEABHN O[C@@]1(CNCc2ccc(OCCn3cccn3)cc2)CCN(c2ccccn2)C1 ZINC000585270774 570239344 /nfs/dbraw/zinc/23/93/44/570239344.db2.gz QHBZZXSMCLEUMT-JOCHJYFZSA-N 0 3 393.491 2.088 40 0 GEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282692 570250894 /nfs/dbraw/zinc/25/08/94/570250894.db2.gz MXEZXGKQEUSQOS-NRFANRHFSA-N 0 3 394.487 2.059 40 0 GEABHN Cc1cc(C)c(C)c(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585288142 570259078 /nfs/dbraw/zinc/25/90/78/570259078.db2.gz XMHSUBHBJQFFFP-UNMCSNQZSA-N 0 3 377.525 2.484 40 0 GEABHN Cc1c2cc(F)ccc2[nH]c1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585293856 570263208 /nfs/dbraw/zinc/26/32/08/570263208.db2.gz BCZRWWIVPYBIBD-LNRXMEIDSA-N 0 3 384.451 2.125 40 0 GEABHN COC[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169591 570326949 /nfs/dbraw/zinc/32/69/49/570326949.db2.gz FOIWZHDAUZQLQA-UFYCRDLUSA-N 0 3 389.473 2.255 40 0 GEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382063 570353105 /nfs/dbraw/zinc/35/31/05/570353105.db2.gz BSIFVSBEJPBKSW-GXRSIYKFSA-N 0 3 390.487 2.229 40 0 biogenic,in-vitro GEABHN O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000035313708 570468146 /nfs/dbraw/zinc/46/81/46/570468146.db2.gz SAMZPJJWGFSGDE-UHFFFAOYSA-N 0 3 395.459 2.177 40 0 GEABHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000030857042 570498831 /nfs/dbraw/zinc/49/88/31/570498831.db2.gz QSSGRUIKNZZHQW-HOTGVXAUSA-N 0 3 382.526 2.261 40 0 GEABHN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)cc2C)cc1 ZINC000224210839 570503747 /nfs/dbraw/zinc/50/37/47/570503747.db2.gz MYMHMJJHRINFLL-UHFFFAOYSA-N 0 3 389.521 2.420 40 0 GEABHN CN(C)CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224335180 570509828 /nfs/dbraw/zinc/50/98/28/570509828.db2.gz HLLGXKSKLVHRQC-UHFFFAOYSA-N 0 3 395.912 2.457 40 0 GEABHN C/C=C1/CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC[C@H](O)CO)cc21 ZINC000008581509 570534919 /nfs/dbraw/zinc/53/49/19/570534919.db2.gz MFOCUXNEPWLHOJ-HANSGLKOSA-N 0 3 384.476 2.041 40 0 GEABHN CN(C)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c3ccsc3cc2C1=O ZINC000012145887 570616754 /nfs/dbraw/zinc/61/67/54/570616754.db2.gz ZUFKZPUCLYCZKG-UHFFFAOYSA-N 0 3 389.525 2.239 40 0 GEABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCOC[C@H]3CCCO3)cc12 ZINC000012186486 570620982 /nfs/dbraw/zinc/62/09/82/570620982.db2.gz UFVATHXHFFGBEZ-GOSISDBHSA-N 0 3 382.464 2.307 40 0 GEABHN COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012292119 570633318 /nfs/dbraw/zinc/63/33/18/570633318.db2.gz MTCPSSKVKPTLDB-LJQANCHMSA-N 0 3 385.460 2.483 40 0 GEABHN CNCc1cc(NC)nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)n1 ZINC000019760627 570888731 /nfs/dbraw/zinc/88/87/31/570888731.db2.gz GVSVFXLLGYIXBA-AWEZNQCLSA-N 0 3 395.916 2.417 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)s1 ZINC000585103112 570931774 /nfs/dbraw/zinc/93/17/74/570931774.db2.gz DEGFJGPQPDSWPP-QGZVFWFLSA-N 0 3 393.553 2.228 40 0 GEABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOCC(=O)N(C)C ZINC000585104999 570934140 /nfs/dbraw/zinc/93/41/40/570934140.db2.gz NRIRGHBXJZSROR-INIZCTEOSA-N 0 3 381.542 2.318 40 0 GEABHN O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585112604 570943038 /nfs/dbraw/zinc/94/30/38/570943038.db2.gz UEDWQVQHRJPLKH-KRWDZBQOSA-N 0 3 378.473 2.254 40 0 GEABHN CCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019533389 210257662 /nfs/dbraw/zinc/25/76/62/210257662.db2.gz IHOWJVMVXDICCS-UHFFFAOYSA-N 0 3 384.480 2.018 40 0 GEABHN CCOc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019533389 210257667 /nfs/dbraw/zinc/25/76/67/210257667.db2.gz IHOWJVMVXDICCS-UHFFFAOYSA-N 0 3 384.480 2.018 40 0 GEABHN CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019523565 210256422 /nfs/dbraw/zinc/25/64/22/210256422.db2.gz JASRDWKQRXYGAB-QAPCUYQASA-N 0 3 382.512 2.271 40 0 GEABHN C[C@@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459194 210250321 /nfs/dbraw/zinc/25/03/21/210250321.db2.gz BLEYJRJYYUUGSF-WBVHZDCISA-N 0 3 380.492 2.268 40 0 GEABHN C[C@@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1)c1ccccc1 ZINC000019459194 210250325 /nfs/dbraw/zinc/25/03/25/210250325.db2.gz BLEYJRJYYUUGSF-WBVHZDCISA-N 0 3 380.492 2.268 40 0 GEABHN O=C(Cc1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019345657 210242168 /nfs/dbraw/zinc/24/21/68/210242168.db2.gz ORDLCSJOTDTYTP-GOSISDBHSA-N 0 3 394.475 2.190 40 0 GEABHN O=C(Cc1ccc2c(c1)OCCCO2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019345693 210241024 /nfs/dbraw/zinc/24/10/24/210241024.db2.gz LHSQOPBOIXBFEV-SFHVURJKSA-N 0 3 394.475 2.190 40 0 GEABHN Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019209472 210228477 /nfs/dbraw/zinc/22/84/77/210228477.db2.gz QYGYWBXQLOJJMH-QGZVFWFLSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019209472 210228481 /nfs/dbraw/zinc/22/84/81/210228481.db2.gz QYGYWBXQLOJJMH-QGZVFWFLSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)sc1C ZINC000019124715 210227349 /nfs/dbraw/zinc/22/73/49/210227349.db2.gz ISSXFWCMSQJJMC-AWEZNQCLSA-N 0 3 386.521 2.456 40 0 GEABHN Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)sc1C ZINC000019124715 210227354 /nfs/dbraw/zinc/22/73/54/210227354.db2.gz ISSXFWCMSQJJMC-AWEZNQCLSA-N 0 3 386.521 2.456 40 0 GEABHN Cc1ccc(N(CCCC(=O)NCCN2CCCCC2)S(C)(=O)=O)cc1C ZINC000013679490 210077419 /nfs/dbraw/zinc/07/74/19/210077419.db2.gz MASOARIEWCTRFE-UHFFFAOYSA-N 0 3 395.569 2.452 40 0 GEABHN CN1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000306143327 212055471 /nfs/dbraw/zinc/05/54/71/212055471.db2.gz XYZHLJMGXQSIJE-ROUUACIJSA-N 0 3 380.492 2.085 40 0 GEABHN Cn1c(C(=O)NC[C@@H]2CC3(CCN(Cc4cc[nH]n4)CC3)O2)cc2ccccc21 ZINC000306142926 212055077 /nfs/dbraw/zinc/05/50/77/212055077.db2.gz XOGFVWMKSBMCEG-SFHVURJKSA-N 0 3 393.491 2.455 40 0 GEABHN COCCN1CC[C@]2(CN(Cc3ccccn3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143443 212054401 /nfs/dbraw/zinc/05/44/01/212054401.db2.gz YCNZVGSDCHUOIV-DENIHFKCSA-N 0 3 397.523 2.324 40 0 GEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccnc3)CC1)COC2 ZINC000306141151 212052456 /nfs/dbraw/zinc/05/24/56/212052456.db2.gz VMOCQTZUFVTZNS-MRXNPFEDSA-N 0 3 398.511 2.014 40 0 GEABHN Cc1[nH]c2ccc(C(=O)N3CCC[C@](O)(CN4CCN(C)CC4)CC3)cc2c1C ZINC000257248135 212011295 /nfs/dbraw/zinc/01/12/95/212011295.db2.gz JCGHYMTUJIHOMZ-HSZRJFAPSA-N 0 3 398.551 2.389 40 0 GEABHN NCc1cnn(-c2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000257224359 212007712 /nfs/dbraw/zinc/00/77/12/212007712.db2.gz FBMRAJVUNDRFEZ-UHFFFAOYSA-N 0 3 379.439 2.433 40 0 GEABHN CCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257202214 212001907 /nfs/dbraw/zinc/00/19/07/212001907.db2.gz AKXWIZRFYZNJBX-LJQANCHMSA-N 0 3 394.519 2.335 40 0 GEABHN CN1CCN(CCNc2cc(-c3ccccc3)nc(NC3CCCC3)n2)CC1 ZINC000328984477 209156139 /nfs/dbraw/zinc/15/61/39/209156139.db2.gz HMVPPTXVLLVPIZ-UHFFFAOYSA-N 0 3 380.540 2.001 40 0 GEABHN CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000097952856 211374615 /nfs/dbraw/zinc/37/46/15/211374615.db2.gz OKUWEWOASNCFTM-OAQYLSRUSA-N 0 3 397.548 2.489 40 0 GEABHN CNC(=O)[C@@]12CCC3(CCN(Cc4ccsc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952827 211373634 /nfs/dbraw/zinc/37/36/34/211373634.db2.gz MHBJSBTYFNNUCO-FXAWDEMLSA-N 0 3 375.538 2.335 40 0 GEABHN CC(=O)N1CC2(CCN(Cc3ccc(C)s3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000097952882 211373051 /nfs/dbraw/zinc/37/30/51/211373051.db2.gz DYWHRKWDNQLQCH-FQEVSTJZSA-N 0 3 375.538 2.349 40 0 GEABHN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000097952886 211372886 /nfs/dbraw/zinc/37/28/86/211372886.db2.gz RZTFTYJYPIPRRY-JOCHJYFZSA-N 0 3 395.507 2.411 40 0 GEABHN CN(C)CCN1[C@@]2(CCN(Cc3ccsc3)C2)c2ccccc2S1(=O)=O ZINC000096261890 211327177 /nfs/dbraw/zinc/32/71/77/211327177.db2.gz XADYFQSFSYGYFE-LJQANCHMSA-N 0 3 391.562 2.415 40 0 GEABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1cnn(C)c1)CC2 ZINC000096260501 211327338 /nfs/dbraw/zinc/32/73/38/211327338.db2.gz PTGGPKWKISQNMR-UHFFFAOYSA-N 0 3 384.528 2.186 40 0 GEABHN CC(C)N1CCN(c2ccc3ccc(C(=O)N4CCCN(C)CC4)cn32)CC1 ZINC000096156092 211313699 /nfs/dbraw/zinc/31/36/99/211313699.db2.gz YPTPEOHIGZZSHM-UHFFFAOYSA-N 0 3 383.540 2.247 40 0 GEABHN CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036502 211295303 /nfs/dbraw/zinc/29/53/03/211295303.db2.gz BMXWCNLGUJXQEA-QHCPKHFHSA-N 0 3 399.535 2.378 40 0 GEABHN COc1ccc(CC[NH2+][C@H](C)[C@H](O)c2ccc([N-]S(C)(=O)=O)c(O)c2)cc1 ZINC000084758834 211176564 /nfs/dbraw/zinc/17/65/64/211176564.db2.gz UOEHIRNDXGQHLQ-YJYMSZOUSA-N 0 3 394.493 2.027 40 0 in-man GEABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391591 211110855 /nfs/dbraw/zinc/11/08/55/211110855.db2.gz CZVUJKSIOTVNTB-MRXNPFEDSA-N 0 3 381.455 2.348 40 0 GEABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3ccccc3F)c3ncccc23)C1 ZINC000072391588 211109918 /nfs/dbraw/zinc/10/99/18/211109918.db2.gz HINGVXVJINXGMT-INIZCTEOSA-N 0 3 381.455 2.348 40 0 GEABHN CN1CCC(C(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)CC1 ZINC000072380642 211108646 /nfs/dbraw/zinc/10/86/46/211108646.db2.gz GNGVKMWEXQURNU-LJQANCHMSA-N 0 3 387.528 2.478 40 0 GEABHN CN1CCC(c2nnc3n2CCN(C(=O)c2nccc4ccccc42)C3)CC1 ZINC000019711235 210285494 /nfs/dbraw/zinc/28/54/94/210285494.db2.gz MADHCEWBYRXYMU-UHFFFAOYSA-N 0 3 376.464 2.292 40 0 GEABHN Cc1ccccc1OCCC(=O)N1CCc2nnc(C3CCN(C)CC3)n2CC1 ZINC000019708962 210284394 /nfs/dbraw/zinc/28/43/94/210284394.db2.gz ACTSWZIBJFRHAP-UHFFFAOYSA-N 0 3 397.523 2.250 40 0 GEABHN O=C(c1cc(-c2ccccc2F)no1)N1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000019706311 210284163 /nfs/dbraw/zinc/28/41/63/210284163.db2.gz FZJLMXHTKMYAGT-OAHLLOKOSA-N 0 3 396.426 2.195 40 0 GEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)CC3)C1 ZINC000019709217 210283157 /nfs/dbraw/zinc/28/31/57/210283157.db2.gz ANVCEUCMRUIYQS-INIZCTEOSA-N 0 3 392.507 2.196 40 0 GEABHN CC(C)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699657 210282270 /nfs/dbraw/zinc/28/22/70/210282270.db2.gz HWARLJLSBONHAH-SFHVURJKSA-N 0 3 398.507 2.086 40 0 GEABHN Cc1ccnn1CCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C)CC2)cc(C)n1 ZINC000019698304 210282227 /nfs/dbraw/zinc/28/22/27/210282227.db2.gz REJAQHZMIGRMQH-OAQYLSRUSA-N 0 3 396.539 2.401 40 0 GEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 ZINC000019583090 210269743 /nfs/dbraw/zinc/26/97/43/210269743.db2.gz FOSRQBRMMKCKGE-MRXNPFEDSA-N 0 3 396.470 2.086 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019574088 210268269 /nfs/dbraw/zinc/26/82/69/210268269.db2.gz YBKKCUUTLFBLQM-LJQANCHMSA-N 0 3 382.512 2.422 40 0 GEABHN COc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590412 210273757 /nfs/dbraw/zinc/27/37/57/210273757.db2.gz IAHVAIORMZMRGS-MRXNPFEDSA-N 0 3 396.491 2.258 40 0 GEABHN CN1CCc2nc(C3CCN(C(=O)[C@H]4OCCc5ccccc54)CC3)ncc2C1 ZINC000019590664 210271936 /nfs/dbraw/zinc/27/19/36/210271936.db2.gz POGOHTDUBVVSEM-NRFANRHFSA-N 0 3 392.503 2.485 40 0 GEABHN Cc1ccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585283071 570251421 /nfs/dbraw/zinc/25/14/21/570251421.db2.gz BHAMGGBGRXJRCW-FPOVZHCZSA-N 0 3 388.895 2.376 40 0 GEABHN CC(C)N(Cc1ccccc1)C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585290466 570258712 /nfs/dbraw/zinc/25/87/12/570258712.db2.gz BPGHTFXALDPCPR-VWNXMTODSA-N 0 3 396.531 2.464 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCN(C)CC1 ZINC000113943675 570335393 /nfs/dbraw/zinc/33/53/93/570335393.db2.gz QUDBERKFGXLCHM-UHFFFAOYSA-N 0 3 393.553 2.384 40 0 GEABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3COC(C)(C)O3)cc12 ZINC000012186879 570621404 /nfs/dbraw/zinc/62/14/04/570621404.db2.gz DQFGRWBXAAOBDK-MRXNPFEDSA-N 0 3 386.427 2.402 40 0 GEABHN O=C(CN1CCCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326169 570643325 /nfs/dbraw/zinc/64/33/25/570643325.db2.gz BZWJPIMBHQEQLT-UHFFFAOYSA-N 0 3 377.504 2.101 40 0 GEABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205679 570816508 /nfs/dbraw/zinc/81/65/08/570816508.db2.gz ARWMFBNFXPVULY-KKUMJFAQSA-N 0 3 376.316 2.331 40 0 GEABHN NC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216433 570817028 /nfs/dbraw/zinc/81/70/28/570817028.db2.gz MLALTAJACZOZPE-OWCLPIDISA-N 0 3 381.295 2.045 40 0 GEABHN C[C@@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257313472 570907366 /nfs/dbraw/zinc/90/73/66/570907366.db2.gz USPWHYGACXACMI-SQNIBIBYSA-N 0 3 386.540 2.406 40 0 GEABHN COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019567003 210265766 /nfs/dbraw/zinc/26/57/66/210265766.db2.gz WZAWMYGQPKTFDS-OAHLLOKOSA-N 0 3 384.480 2.377 40 0 GEABHN COc1cccc(OC)c1C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019567003 210265772 /nfs/dbraw/zinc/26/57/72/210265772.db2.gz WZAWMYGQPKTFDS-OAHLLOKOSA-N 0 3 384.480 2.377 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C ZINC000019556701 210261438 /nfs/dbraw/zinc/26/14/38/210261438.db2.gz JWCKQPLPMVFOPS-AWEZNQCLSA-N 0 3 396.539 2.286 40 0 GEABHN CC1CCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496865 210252648 /nfs/dbraw/zinc/25/26/48/210252648.db2.gz VMGPOUXKNNFDGB-GOSISDBHSA-N 0 3 386.540 2.408 40 0 GEABHN C[C@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459192 210250661 /nfs/dbraw/zinc/25/06/61/210250661.db2.gz BLEYJRJYYUUGSF-DOTOQJQBSA-N 0 3 380.492 2.268 40 0 GEABHN C[C@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1)c1ccccc1 ZINC000019459192 210250667 /nfs/dbraw/zinc/25/06/67/210250667.db2.gz BLEYJRJYYUUGSF-DOTOQJQBSA-N 0 3 380.492 2.268 40 0 GEABHN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292327 210237843 /nfs/dbraw/zinc/23/78/43/210237843.db2.gz YHCWDEOUHVEJQS-DOTOQJQBSA-N 0 3 384.480 2.052 40 0 GEABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OCCO ZINC000019215997 210230505 /nfs/dbraw/zinc/23/05/05/210230505.db2.gz QKLOWZGFQWWINF-YYDVJCTNSA-N 0 3 398.503 2.499 40 0 GEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(N)CN)cc1 ZINC000242547656 532518230 /nfs/dbraw/zinc/51/82/30/532518230.db2.gz KQFNUBBSMLSZKG-BRWVUGGUSA-N 0 3 395.322 2.353 40 0 GEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccncc3)CC1)COC2 ZINC000306142252 212054879 /nfs/dbraw/zinc/05/48/79/212054879.db2.gz WURDUTZADVDKHW-MRXNPFEDSA-N 0 3 398.511 2.014 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306134081 212051905 /nfs/dbraw/zinc/05/19/05/212051905.db2.gz NDCKPCVCHCONKN-HZPDHXFCSA-N 0 3 392.438 2.369 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccsc4)C[C@H]32)cc1 ZINC000306127405 212046657 /nfs/dbraw/zinc/04/66/57/212046657.db2.gz FYAMFTZUHMUBKD-ROUUACIJSA-N 0 3 394.500 2.052 40 0 GEABHN CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3ccc(CC)cc3)C2)O1 ZINC000306131482 212049580 /nfs/dbraw/zinc/04/95/80/212049580.db2.gz KGARCYROPSFGDG-FPOVZHCZSA-N 0 3 375.513 2.318 40 0 GEABHN COc1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cc1OC ZINC000328971648 209154498 /nfs/dbraw/zinc/15/44/98/209154498.db2.gz DRDKDOZMOWBIBV-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN Cc1ccc(S(=O)(=O)CC(=O)N2CCC3(CC2)CNCc2ccccc23)cc1 ZINC000096156918 211314857 /nfs/dbraw/zinc/31/48/57/211314857.db2.gz FABMKDFSWLSTQI-UHFFFAOYSA-N 0 3 398.528 2.432 40 0 GEABHN CNC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1c(C)noc1C)CC2 ZINC000096100428 211302523 /nfs/dbraw/zinc/30/25/23/211302523.db2.gz ABVBAQHHANYIKW-UHFFFAOYSA-N 0 3 383.496 2.469 40 0 GEABHN CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000096036492 211294377 /nfs/dbraw/zinc/29/43/77/211294377.db2.gz JNEZEASRVOUITC-FQEVSTJZSA-N 0 3 375.538 2.431 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)ncc2C1 ZINC000072397268 211112511 /nfs/dbraw/zinc/11/25/11/211112511.db2.gz GKXDXDSFGIPMPW-UTKZUKDTSA-N 0 3 392.503 2.485 40 0 GEABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3F)c3ncccc23)C1 ZINC000072391589 211109624 /nfs/dbraw/zinc/10/96/24/211109624.db2.gz HINGVXVJINXGMT-MRXNPFEDSA-N 0 3 381.455 2.348 40 0 GEABHN COc1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380590 211108667 /nfs/dbraw/zinc/10/86/67/211108667.db2.gz DDJJTXZBGIHLIB-KRWDZBQOSA-N 0 3 384.480 2.270 40 0 GEABHN C[C@@H]1Cc2cc(C(=O)N3CCn4c(nnc4C4CCN(C)CC4)C3)ccc2O1 ZINC000019711272 210285705 /nfs/dbraw/zinc/28/57/05/210285705.db2.gz BVUCCBFIZINPKY-CQSZACIVSA-N 0 3 381.480 2.067 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN3CC(=O)N(C)C)CC2)o1 ZINC000019746364 210292029 /nfs/dbraw/zinc/29/20/29/210292029.db2.gz XWFHXZHDQOYGMP-KRWDZBQOSA-N 0 3 376.501 2.086 40 0 GEABHN CS(=O)(=O)N1CCC(CC(=O)Nc2ccccc2CN2CCCC2)CC1 ZINC000019748209 210291362 /nfs/dbraw/zinc/29/13/62/210291362.db2.gz RNPWGARFLZFUDJ-UHFFFAOYSA-N 0 3 379.526 2.283 40 0 GEABHN Cc1c(-c2cncn2CCN[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)nn1C ZINC000019719404 210289427 /nfs/dbraw/zinc/28/94/27/210289427.db2.gz JDRWXQBPNDFHPQ-QGZVFWFLSA-N 0 3 399.520 2.036 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)CC3)C1 ZINC000019709244 210284720 /nfs/dbraw/zinc/28/47/20/210284720.db2.gz DJAPZUFKKZVBPL-OAHLLOKOSA-N 0 3 396.470 2.406 40 0 GEABHN COc1ccc(CCC(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709475 210284029 /nfs/dbraw/zinc/28/40/29/210284029.db2.gz KBYBZNOAIPYALF-SFHVURJKSA-N 0 3 397.523 2.113 40 0 GEABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccn3)CC2)cc(C)n1 ZINC000019698287 210282476 /nfs/dbraw/zinc/28/24/76/210282476.db2.gz GFCZEDLUFXDFNL-OAQYLSRUSA-N 0 3 393.491 2.431 40 0 GEABHN COC(C)(C)C(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(C)=O)c2)CC1 ZINC000019697951 210281460 /nfs/dbraw/zinc/28/14/60/210281460.db2.gz FCKGRIBAJPSSGE-IBGZPJMESA-N 0 3 388.512 2.147 40 0 GEABHN Cc1nccn1C[C@H]1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000019656780 210277714 /nfs/dbraw/zinc/27/77/14/210277714.db2.gz KJGPRSQWVDMBFM-IBGZPJMESA-N 0 3 399.514 2.391 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019574125 210268473 /nfs/dbraw/zinc/26/84/73/210268473.db2.gz NKRDJEOXLXNEFB-SFHVURJKSA-N 0 3 396.539 2.464 40 0 GEABHN COc1cccc(OC)c1C(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590629 210273236 /nfs/dbraw/zinc/27/32/36/210273236.db2.gz HLBPEZIIASIPBT-AWEZNQCLSA-N 0 3 382.464 2.111 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590586 210272369 /nfs/dbraw/zinc/27/23/69/210272369.db2.gz CBYOVILPSPURQQ-KRWDZBQOSA-N 0 3 376.457 2.129 40 0 GEABHN COc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1OC ZINC000019590522 210272250 /nfs/dbraw/zinc/27/22/50/210272250.db2.gz RGSUXCQZJDERRO-SFHVURJKSA-N 0 3 396.491 2.388 40 0 GEABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2OCCc4ccccc42)C3)CC1 ZINC000019588250 210272074 /nfs/dbraw/zinc/27/20/74/210272074.db2.gz KGZDTFCJBDDGPH-NRFANRHFSA-N 0 3 392.503 2.485 40 0 GEABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)ncc2C1 ZINC000019590427 210271792 /nfs/dbraw/zinc/27/17/92/210271792.db2.gz BRPIQLLZJZPJFJ-AWEZNQCLSA-N 0 3 380.496 2.086 40 0 GEABHN COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c1 ZINC000019588001 210271705 /nfs/dbraw/zinc/27/17/05/210271705.db2.gz ZTPDJGACWBYQMX-AWEZNQCLSA-N 0 3 382.464 2.111 40 0 GEABHN O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)ccc2N1 ZINC000012362258 221184472 /nfs/dbraw/zinc/18/44/72/221184472.db2.gz MGDVKJBJWWPALH-KRWDZBQOSA-N 0 3 399.516 2.372 40 0 GEABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514290286 560030020 /nfs/dbraw/zinc/03/00/20/560030020.db2.gz WGXWOZQNPCINKO-XZOQPEGZSA-N 0 3 377.532 2.235 40 0 biogenic,in-vitro GEABHN COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN(C)CCc3ccccc3)[C@@H]2O)c1 ZINC000514288945 560033535 /nfs/dbraw/zinc/03/35/35/560033535.db2.gz KTIHRYSGPJHSJL-PCCBWWKXSA-N 0 3 399.491 2.120 40 0 biogenic,in-vitro GEABHN CS(=O)(=O)c1ccc(CNC[C@H]2COCc3nc4cc(F)ccc4n32)cc1 ZINC000096112730 560060636 /nfs/dbraw/zinc/06/06/36/560060636.db2.gz YZCOMYNSISYWLW-HNNXBMFYSA-N 0 3 389.452 2.440 40 0 biogenic,in-vitro GEABHN COCCOc1ccnc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)c1 ZINC000035425086 560080988 /nfs/dbraw/zinc/08/09/88/560080988.db2.gz CDKYRFZKAUKNLH-SFHVURJKSA-N 0 3 387.484 2.388 40 0 biogenic,in-vitro GEABHN COc1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc1F ZINC000329000107 570211435 /nfs/dbraw/zinc/21/14/35/570211435.db2.gz JZJUVDDHHSBOLM-UHFFFAOYSA-N 0 3 382.443 2.247 40 0 GEABHN Cc1cc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)ccc1F ZINC000585283192 570251474 /nfs/dbraw/zinc/25/14/74/570251474.db2.gz QVCLFJYUZBOARI-FPOVZHCZSA-N 0 3 381.488 2.396 40 0 GEABHN COc1ccccc1CN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531847 570312997 /nfs/dbraw/zinc/31/29/97/570312997.db2.gz GTKRCJYIQQQWJJ-QGZVFWFLSA-N 0 3 394.537 2.291 40 0 GEABHN Cn1c2ccc(CN3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)cc2n(C)c1=O ZINC000012135175 570613998 /nfs/dbraw/zinc/61/39/98/570613998.db2.gz UOTBQRLWKTXTSN-NHJWOMDBSA-N 0 3 392.503 2.392 40 0 GEABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3[C@@H](O)[C@@]21C ZINC000004063782 570614705 /nfs/dbraw/zinc/61/47/05/570614705.db2.gz NIQPEHCERNDLQS-RUNBYEGESA-N 0 3 391.508 2.110 40 0 GEABHN CC(=O)Nc1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012219542 570627219 /nfs/dbraw/zinc/62/72/19/570627219.db2.gz QYNOAWFXXJUCTN-LJQANCHMSA-N 0 3 398.459 2.391 40 0 GEABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cn1 ZINC000225917454 570633388 /nfs/dbraw/zinc/63/33/88/570633388.db2.gz ATQIUFRHYFVMJC-UHFFFAOYSA-N 0 3 375.425 2.305 40 0 GEABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000012291429 570633411 /nfs/dbraw/zinc/63/34/11/570633411.db2.gz FFFRQUHWZMBPAG-OAQYLSRUSA-N 0 3 386.517 2.491 40 0 GEABHN Cc1ccc(CC(=O)N2CCc3nc4n(c(=O)c3C2)[C@@H](CN(C)C)CCC4)cc1 ZINC000585110177 570939101 /nfs/dbraw/zinc/93/91/01/570939101.db2.gz SOABCSGVUFMZCL-GOSISDBHSA-N 0 3 394.519 2.118 40 0 GEABHN COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019551046 210260582 /nfs/dbraw/zinc/26/05/82/210260582.db2.gz MKGUKZJLQAWEAQ-AWEZNQCLSA-N 0 3 382.464 2.159 40 0 GEABHN CCN1CCN(C2CCN(C(=O)c3ccc(C)c(-n4cccn4)c3)CC2)CC1 ZINC000019528137 210258461 /nfs/dbraw/zinc/25/84/61/210258461.db2.gz MFFPANXPCGGGLJ-UHFFFAOYSA-N 0 3 381.524 2.423 40 0 GEABHN CC(C)c1nccn1CCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019454453 210250153 /nfs/dbraw/zinc/25/01/53/210250153.db2.gz MMSHKEQWHWOADX-UHFFFAOYSA-N 0 3 382.512 2.239 40 0 GEABHN O=C(CCn1ncc2ccccc21)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019376595 210246686 /nfs/dbraw/zinc/24/66/86/210246686.db2.gz PSZHKYOCVXPFHW-KRWDZBQOSA-N 0 3 390.491 2.268 40 0 GEABHN O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019376693 210246147 /nfs/dbraw/zinc/24/61/47/210246147.db2.gz YRDOBOMYNJZHNX-LJQANCHMSA-N 0 3 376.464 2.226 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1F ZINC000019214525 210230379 /nfs/dbraw/zinc/23/03/79/210230379.db2.gz DIXSKWNDHSMDJF-GOSISDBHSA-N 0 3 390.484 2.486 40 0 GEABHN Cc1cccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000013632276 210074447 /nfs/dbraw/zinc/07/44/47/210074447.db2.gz DSSQMHRLRKNLEW-UHFFFAOYSA-N 0 3 389.521 2.177 40 0 GEABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253999 291117257 /nfs/dbraw/zinc/11/72/57/291117257.db2.gz RRVYYAJEGIFKDM-UHOSZYNNSA-N 0 3 394.523 2.499 40 0 biogenic,in-vitro GEABHN CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C3CCOCC3)CCN21 ZINC000253407465 209218899 /nfs/dbraw/zinc/21/88/99/209218899.db2.gz WLOSUGRJVLTJAG-KRWDZBQOSA-N 0 3 375.488 2.225 40 0 biogenic,in-vitro GEABHN CN1C[C@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccco3)CC2)C1 ZINC000306143866 212055775 /nfs/dbraw/zinc/05/57/75/212055775.db2.gz YOSROQUFMNTSBU-GOSISDBHSA-N 0 3 389.521 2.323 40 0 GEABHN CCn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306144576 212055624 /nfs/dbraw/zinc/05/56/24/212055624.db2.gz ZJFXWVNMDCRKAR-IAGOWNOFSA-N 0 3 391.479 2.051 40 0 GEABHN CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3ccc(CC)cc3)C2)O1 ZINC000306131481 212049925 /nfs/dbraw/zinc/04/99/25/212049925.db2.gz KGARCYROPSFGDG-CTNGQTDRSA-N 0 3 375.513 2.318 40 0 GEABHN Cn1cncc1CNc1ncc2c(n1)[C@]1(CCN(Cc3ccccc3)C1)COC2 ZINC000306127603 212047799 /nfs/dbraw/zinc/04/77/99/212047799.db2.gz GDGXREAHUOLWPQ-QFIPXVFZSA-N 0 3 390.491 2.496 40 0 GEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccco3)CC1)COC2 ZINC000306126302 212045375 /nfs/dbraw/zinc/04/53/75/212045375.db2.gz DSAXRUHHYHOURZ-OAHLLOKOSA-N 0 3 387.484 2.212 40 0 GEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000257332209 212025338 /nfs/dbraw/zinc/02/53/38/212025338.db2.gz XWFZIBFXGXWZPM-OAQYLSRUSA-N 0 3 387.455 2.416 40 0 GEABHN Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 ZINC000257272949 212014738 /nfs/dbraw/zinc/01/47/38/212014738.db2.gz NENZQMDULYLTQO-CGXNFDGLSA-N 0 3 399.466 2.304 40 0 GEABHN COc1ccccc1[C@H]1CNCCN1CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000257246296 212011455 /nfs/dbraw/zinc/01/14/55/212011455.db2.gz ITMKQFKLCVCYTC-LJQANCHMSA-N 0 3 379.464 2.465 40 0 GEABHN CC(C)n1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCC2)n1 ZINC000257228965 212006945 /nfs/dbraw/zinc/00/69/45/212006945.db2.gz FWALSPHOHLKRRE-CGXNFDGLSA-N 0 3 398.507 2.239 40 0 GEABHN CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c([O-])c1 ZINC000257223154 212005099 /nfs/dbraw/zinc/00/50/99/212005099.db2.gz DWDAUJXMCCLANM-QWFCFKBJSA-N 0 3 375.513 2.346 40 0 GEABHN CN(C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccn2)n1 ZINC000329045986 209157696 /nfs/dbraw/zinc/15/76/96/209157696.db2.gz TYTPBWWEUZZFEH-UHFFFAOYSA-N 0 3 384.434 2.246 40 0 GEABHN O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096243592 211324454 /nfs/dbraw/zinc/32/44/54/211324454.db2.gz LRUOTCUPUQZUCU-IBGZPJMESA-N 0 3 398.482 2.439 40 0 GEABHN O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096243588 211324510 /nfs/dbraw/zinc/32/45/10/211324510.db2.gz HNTHKYPCCOTHJV-KRWDZBQOSA-N 0 3 386.521 2.361 40 0 GEABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075610 211299315 /nfs/dbraw/zinc/29/93/15/211299315.db2.gz NUORUXQKXIGIMW-WZONZLPQSA-N 0 3 396.535 2.427 40 0 GEABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096036820 211296871 /nfs/dbraw/zinc/29/68/71/211296871.db2.gz UCWXJVOVVHEFLV-KRWDZBQOSA-N 0 3 386.521 2.457 40 0 GEABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3ncccc23)C1 ZINC000072391592 211109384 /nfs/dbraw/zinc/10/93/84/211109384.db2.gz SKOUJGPTWBCBDO-INIZCTEOSA-N 0 3 381.455 2.348 40 0 GEABHN Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN(CC4CC4)C3)nc2n(C)c1=O ZINC000072374580 211106091 /nfs/dbraw/zinc/10/60/91/211106091.db2.gz VZQPBZKSGJJJTG-LBPRGKRZSA-N 0 3 396.413 2.240 40 0 GEABHN CN(C)c1cc(C[C@H]2CNCCN(C(=O)Cc3ccc(Cl)cc3)C2)ncn1 ZINC000072355160 211099205 /nfs/dbraw/zinc/09/92/05/211099205.db2.gz XGACUECHXQMDQV-INIZCTEOSA-N 0 3 387.915 2.029 40 0 GEABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334456 211091906 /nfs/dbraw/zinc/09/19/06/211091906.db2.gz LVGFHSXOZIVLDG-NZQKXSOJSA-N 0 3 377.488 2.368 40 0 GEABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000019716134 210287327 /nfs/dbraw/zinc/28/73/27/210287327.db2.gz XCYGDAZTIKELAW-OAHLLOKOSA-N 0 3 394.479 2.143 40 0 GEABHN COc1cc(C)ccc1CN1CCC(c2nnc3n2CCN(C(C)=O)CC3)CC1 ZINC000019709414 210284835 /nfs/dbraw/zinc/28/48/35/210284835.db2.gz ZKYBIXXPMMIPMX-UHFFFAOYSA-N 0 3 397.523 2.379 40 0 GEABHN O=C(c1cc(C2CCCCC2)no1)N1CCC[C@H](c2nnc3n2CCNCC3)C1 ZINC000019709227 210283964 /nfs/dbraw/zinc/28/39/64/210283964.db2.gz CGZGFRAUDRTPSL-INIZCTEOSA-N 0 3 398.511 2.479 40 0 GEABHN COCCOc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019593670 210275243 /nfs/dbraw/zinc/27/52/43/210275243.db2.gz LQKODFYWVRHNNS-LJQANCHMSA-N 0 3 382.464 2.125 40 0 GEABHN CN(C)CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019581789 210270966 /nfs/dbraw/zinc/27/09/66/210270966.db2.gz VJQRWVJBWQMVQL-GOSISDBHSA-N 0 3 387.528 2.098 40 0 GEABHN CN(C)CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019581789 210270972 /nfs/dbraw/zinc/27/09/72/210270972.db2.gz VJQRWVJBWQMVQL-GOSISDBHSA-N 0 3 387.528 2.098 40 0 GEABHN COc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)c1 ZINC000019590256 210273263 /nfs/dbraw/zinc/27/32/63/210273263.db2.gz LHYJOTMBGNWFTJ-INIZCTEOSA-N 0 3 396.491 2.127 40 0 GEABHN COc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)c1 ZINC000019590256 210273266 /nfs/dbraw/zinc/27/32/66/210273266.db2.gz LHYJOTMBGNWFTJ-INIZCTEOSA-N 0 3 396.491 2.127 40 0 GEABHN COc1ccccc1OCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590413 210272969 /nfs/dbraw/zinc/27/29/69/210272969.db2.gz IAHVAIORMZMRGS-INIZCTEOSA-N 0 3 396.491 2.258 40 0 GEABHN CN(Cc1ccccc1)[C@@H]1[C@@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000096482535 560060099 /nfs/dbraw/zinc/06/00/99/560060099.db2.gz UODNZUGCUYOBIQ-PLACYPQZSA-N 0 3 390.911 2.051 40 0 biogenic,in-vitro GEABHN O=c1ccc(-c2cncnc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000005439627 560202162 /nfs/dbraw/zinc/20/21/62/560202162.db2.gz YZBUTTUHDSNDMG-LSDHHAIUSA-N 0 3 378.432 2.010 40 0 biogenic,in-vitro GEABHN C[C@@]1(C(=O)NCCO)CCCN1Cc1cccc(OCCN2CCCCC2)c1 ZINC000585272880 570241611 /nfs/dbraw/zinc/24/16/11/570241611.db2.gz NGXUHXQUSYFBCQ-QFIPXVFZSA-N 0 3 389.540 2.014 40 0 GEABHN CCC(CC)N1CCN(C(=O)COC)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284175 570251414 /nfs/dbraw/zinc/25/14/14/570251414.db2.gz VLLSVJJGVZRCQI-QFIPXVFZSA-N 0 3 392.540 2.393 40 0 GEABHN O=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108530574 570313068 /nfs/dbraw/zinc/31/30/68/570313068.db2.gz LOCLUGYQSCZHAC-INIZCTEOSA-N 0 3 382.501 2.421 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CCNCC2)cc1 ZINC000072216352 570317434 /nfs/dbraw/zinc/31/74/34/570317434.db2.gz FWDSOHMKDXXWDN-IBGZPJMESA-N 0 3 386.521 2.325 40 0 GEABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000022075684 570321813 /nfs/dbraw/zinc/32/18/13/570321813.db2.gz ZHRBCMQKETZOOT-MRXNPFEDSA-N 0 3 378.856 2.426 40 0 GEABHN Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCN(C)C)ccc2C)cc1 ZINC000224310418 570508513 /nfs/dbraw/zinc/50/85/13/570508513.db2.gz AHPKFDPOSHBFOV-UHFFFAOYSA-N 0 3 389.521 2.420 40 0 GEABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3COC(C)(C)O3)cc12 ZINC000012186883 570621424 /nfs/dbraw/zinc/62/14/24/570621424.db2.gz DQFGRWBXAAOBDK-INIZCTEOSA-N 0 3 386.427 2.402 40 0 GEABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000044913716 570643004 /nfs/dbraw/zinc/64/30/04/570643004.db2.gz RFJWJKMCFOGNDN-UHFFFAOYSA-N 0 3 392.975 2.306 40 0 GEABHN CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019446821 570925839 /nfs/dbraw/zinc/92/58/39/570925839.db2.gz WXHLEJHCXOGUNW-OALUTQOASA-N 0 3 376.549 2.500 40 0 GEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572707 210267939 /nfs/dbraw/zinc/26/79/39/210267939.db2.gz RCOGPZSIJOSUMX-IRXDYDNUSA-N 0 3 382.512 2.245 40 0 GEABHN COc1ccccc1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569846 210265161 /nfs/dbraw/zinc/26/51/61/210265161.db2.gz IYEQCMKXEPAPBQ-QGZVFWFLSA-N 0 3 380.492 2.470 40 0 GEABHN Cc1cc(=O)n(CC(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)c2ccccc12 ZINC000019566459 210264936 /nfs/dbraw/zinc/26/49/36/210264936.db2.gz ZWRCPHDKNRBKAU-LJQANCHMSA-N 0 3 397.519 2.412 40 0 GEABHN COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1OC ZINC000019560389 210264552 /nfs/dbraw/zinc/26/45/52/210264552.db2.gz NCIPYDBGGJBINF-UHFFFAOYSA-N 0 3 396.491 2.088 40 0 GEABHN COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CCNC3)CO2 ZINC000019562401 210263217 /nfs/dbraw/zinc/26/32/17/210263217.db2.gz GRRVYSNDKIYGHN-BEFAXECRSA-N 0 3 394.475 2.046 40 0 GEABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556802 210262154 /nfs/dbraw/zinc/26/21/54/210262154.db2.gz YISQSVLGGWUPLE-DJJJIMSYSA-N 0 3 382.512 2.244 40 0 GEABHN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019457723 210251358 /nfs/dbraw/zinc/25/13/58/210251358.db2.gz WBQBDFJTFGSZGC-MGPUTAFESA-N 0 3 390.491 2.472 40 0 GEABHN CN(C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(C(F)(F)F)n1 ZINC000329004302 231047007 /nfs/dbraw/zinc/04/70/07/231047007.db2.gz KRAWOHLOMFYJPZ-UHFFFAOYSA-N 0 3 375.345 2.203 40 0 GEABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OCCO ZINC000019237853 210236440 /nfs/dbraw/zinc/23/64/40/210236440.db2.gz DTKZCNDLQLNNJM-YYDVJCTNSA-N 0 3 398.503 2.499 40 0 GEABHN Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019237983 210235900 /nfs/dbraw/zinc/23/59/00/210235900.db2.gz CYDOKEGCOMEVOM-RDJZCZTQSA-N 0 3 382.512 2.012 40 0 GEABHN C[C@H](C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2)N1CCCC1=O ZINC000019077466 210224103 /nfs/dbraw/zinc/22/41/03/210224103.db2.gz GGQJQQLFCOJWJI-FVYSKSNYSA-N 0 3 385.508 2.319 40 0 GEABHN CC[C@@H](C(=O)NCCN1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713969 210082729 /nfs/dbraw/zinc/08/27/29/210082729.db2.gz GMCQWRJCJRWPFD-SFHVURJKSA-N 0 3 381.542 2.142 40 0 GEABHN CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCCC3)cc2sc1=O ZINC000225710776 532488507 /nfs/dbraw/zinc/48/85/07/532488507.db2.gz ODKRSPUQCXDZGR-UHFFFAOYSA-N 0 3 383.539 2.408 40 0 GEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccccn3)CC1)COC2 ZINC000306145036 212058004 /nfs/dbraw/zinc/05/80/04/212058004.db2.gz ZVVJHOZKJDKIBJ-MRXNPFEDSA-N 0 3 398.511 2.014 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccco4)C[C@H]2C3)cc1 ZINC000306141737 212055298 /nfs/dbraw/zinc/05/52/98/212055298.db2.gz WEZCQFSZOAUIKT-CABCVRRESA-N 0 3 393.447 2.436 40 0 GEABHN COCCN1CC[C@]2(CN(Cc3ccccn3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143445 212054994 /nfs/dbraw/zinc/05/49/94/212054994.db2.gz YCNZVGSDCHUOIV-SIKLNZKXSA-N 0 3 397.523 2.324 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@@H]1C2 ZINC000306139154 212052255 /nfs/dbraw/zinc/05/22/55/212052255.db2.gz SQTAHOABWUGVBE-GJZGRUSLSA-N 0 3 392.438 2.369 40 0 GEABHN Cc1cccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306136196 212051749 /nfs/dbraw/zinc/05/17/49/212051749.db2.gz PMJZNASWKZJUBB-QFIPXVFZSA-N 0 3 396.491 2.003 40 0 GEABHN COc1ccc2c(n1)-n1c(C)ncc1C1(CCC(C(=O)NCCN(C)C)CC1)N2 ZINC000306134361 212050929 /nfs/dbraw/zinc/05/09/29/212050929.db2.gz NKZRHIJLARCPDG-UHFFFAOYSA-N 0 3 398.511 2.073 40 0 GEABHN CCc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H]3[C@H](c4ccccc4)CN(C)[C@@H]3C2)c1C ZINC000257325057 212025236 /nfs/dbraw/zinc/02/52/36/212025236.db2.gz WRGIJSSHHCUZQX-NBYUQASBSA-N 0 3 382.508 2.201 40 0 GEABHN CC(C)C[C@H](N)C(=O)N1CCC2(CO[C@@H]([C@@]3(C)CC[C@H](O)C(C)(C)O3)C2)CC1 ZINC000257277994 212015645 /nfs/dbraw/zinc/01/56/45/212015645.db2.gz OAIDHWKBNDHJDA-LXGFNABISA-N 0 3 396.572 2.466 40 0 GEABHN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257204231 212003783 /nfs/dbraw/zinc/00/37/83/212003783.db2.gz ATQDSUFRPMXFEO-QHCPKHFHSA-N 0 3 396.535 2.371 40 0 GEABHN CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000097952852 211374627 /nfs/dbraw/zinc/37/46/27/211374627.db2.gz BSFGXTDHTCMNDB-OAQYLSRUSA-N 0 3 381.480 2.021 40 0 GEABHN COCCN1CC[C@H](c2nnc3ccc(C(=O)Nc4ccc(OC)cc4)cn32)C1 ZINC000096267490 211328821 /nfs/dbraw/zinc/32/88/21/211328821.db2.gz WFFBEJFISLAALA-HNNXBMFYSA-N 0 3 395.463 2.426 40 0 GEABHN CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccccn1)CC2 ZINC000096260385 211326081 /nfs/dbraw/zinc/32/60/81/211326081.db2.gz OONFIKUFHXEFOG-UHFFFAOYSA-N 0 3 379.508 2.379 40 0 GEABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccccc21 ZINC000096242222 211323773 /nfs/dbraw/zinc/32/37/73/211323773.db2.gz AUEFLJXHBCHNTP-KRWDZBQOSA-N 0 3 386.540 2.257 40 0 GEABHN COc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056961 211298211 /nfs/dbraw/zinc/29/82/11/211298211.db2.gz YXFARMYOVNERCI-FPOVZHCZSA-N 0 3 376.497 2.171 40 0 GEABHN CNC(=O)[C@@]12CCC3(CCN(Cc4ccc(F)cc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096036266 211294757 /nfs/dbraw/zinc/29/47/57/211294757.db2.gz WKDBAZXRJVFYSM-SIKLNZKXSA-N 0 3 387.499 2.412 40 0 GEABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H]2OCCc4ccccc42)C3)C1 ZINC000072397278 211112811 /nfs/dbraw/zinc/11/28/11/211112811.db2.gz VOUBOBWDTHOGTJ-UTKZUKDTSA-N 0 3 392.503 2.485 40 0 GEABHN CN1CCc2nc([C@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)ncc2C1 ZINC000072397269 211112402 /nfs/dbraw/zinc/11/24/02/211112402.db2.gz GKXDXDSFGIPMPW-UWJYYQICSA-N 0 3 392.503 2.485 40 0 GEABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H]2OCCc4ccccc42)C3)C1 ZINC000072397277 211112320 /nfs/dbraw/zinc/11/23/20/211112320.db2.gz VOUBOBWDTHOGTJ-UWJYYQICSA-N 0 3 392.503 2.485 40 0 GEABHN CC1(C)Cc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000019719715 210289264 /nfs/dbraw/zinc/28/92/64/210289264.db2.gz ZEPJIZKZLXHBTO-MRXNPFEDSA-N 0 3 375.494 2.040 40 0 GEABHN CC(C)(C)[C@H]1CCc2onc(C(=O)NCCCN3CCC(C(N)=O)CC3)c2C1 ZINC000019715938 210287793 /nfs/dbraw/zinc/28/77/93/210287793.db2.gz LOAHTNWDBFICRO-HNNXBMFYSA-N 0 3 390.528 2.143 40 0 GEABHN Cc1cccc(C)c1OCC(=O)N1CCc2nnc(C3CCN(C)CC3)n2CC1 ZINC000019708995 210283521 /nfs/dbraw/zinc/28/35/21/210283521.db2.gz JJLNETDFABZPEM-UHFFFAOYSA-N 0 3 397.523 2.168 40 0 GEABHN CN1CCC(N(C[C@@H]2CCCO2)C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000019588104 210272089 /nfs/dbraw/zinc/27/20/89/210272089.db2.gz GCRHXQBFDVUDPE-KRWDZBQOSA-N 0 3 399.495 2.166 40 0 GEABHN COc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1OC ZINC000019590612 210271802 /nfs/dbraw/zinc/27/18/02/210271802.db2.gz HASUSJNGWIYJOZ-INIZCTEOSA-N 0 3 396.491 2.040 40 0 GEABHN CN1CCc2nc(C3CCN(C(=O)COc4ccccc4F)CC3)ncc2C1 ZINC000019590680 210271922 /nfs/dbraw/zinc/27/19/22/210271922.db2.gz AMYOKGZBDSJXOR-UHFFFAOYSA-N 0 3 384.455 2.389 40 0 GEABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)Nc2cccs2)[C@H]1O ZINC000514288969 560033738 /nfs/dbraw/zinc/03/37/38/560033738.db2.gz MENKVDUUAVKMIG-XYJFISCASA-N 0 3 375.494 2.172 40 0 biogenic,in-vitro GEABHN CC(=O)N1CCC(N2C[C@@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000096112213 560060943 /nfs/dbraw/zinc/06/09/43/560060943.db2.gz RPRBNJVBGISHED-QAPCUYQASA-N 0 3 378.423 2.252 40 0 biogenic,in-vitro GEABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1 ZINC000035425298 560080023 /nfs/dbraw/zinc/08/00/23/560080023.db2.gz WXVPRIAQKKMKPC-SFHVURJKSA-N 0 3 398.511 2.199 40 0 biogenic,in-vitro GEABHN COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C ZINC000585262178 570229583 /nfs/dbraw/zinc/22/95/83/570229583.db2.gz JGPAWQASLJGJSW-LMCOJAPRSA-N 0 3 388.439 2.075 40 0 GEABHN CN(Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286140 570255738 /nfs/dbraw/zinc/25/57/38/570255738.db2.gz WIQUTZDXRHNGKV-PZJWPPBQSA-N 0 3 388.895 2.410 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCNCC2)cc1 ZINC000072216351 570317522 /nfs/dbraw/zinc/31/75/22/570317522.db2.gz FWDSOHMKDXXWDN-LJQANCHMSA-N 0 3 386.521 2.325 40 0 GEABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCC(C)CC3)ccc21 ZINC000004969195 570420367 /nfs/dbraw/zinc/42/03/67/570420367.db2.gz MFKBSFOTVBPSBN-UHFFFAOYSA-N 0 3 393.553 2.386 40 0 GEABHN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038836363 570587011 /nfs/dbraw/zinc/58/70/11/570587011.db2.gz NLZPHGDKQCCHRD-QGZVFWFLSA-N 0 3 377.460 2.338 40 0 GEABHN CCn1c2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)cc2sc1=O ZINC000225698070 570605006 /nfs/dbraw/zinc/60/50/06/570605006.db2.gz KHLDAVJADLFXAG-CQSZACIVSA-N 0 3 397.566 2.483 40 0 GEABHN O=S(=O)(c1ccccc1F)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585112415 570942609 /nfs/dbraw/zinc/94/26/09/570942609.db2.gz PIIYRZGIAQJQFE-INIZCTEOSA-N 0 3 378.473 2.254 40 0 GEABHN COc1cc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2 ZINC000019549940 210259495 /nfs/dbraw/zinc/25/94/95/210259495.db2.gz QXCKKWWZALUUAF-CQSZACIVSA-N 0 3 395.419 2.296 40 0 GEABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OCCO ZINC000019550226 210258763 /nfs/dbraw/zinc/25/87/63/210258763.db2.gz QLZOTAOXVGJVJO-SVMVAKDDSA-N 0 3 384.476 2.191 40 0 GEABHN CCOc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019533908 210257985 /nfs/dbraw/zinc/25/79/85/210257985.db2.gz KZLOUMQGDPHTIJ-UHFFFAOYSA-N 0 3 398.507 2.378 40 0 GEABHN CCOc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019533908 210257989 /nfs/dbraw/zinc/25/79/89/210257989.db2.gz KZLOUMQGDPHTIJ-UHFFFAOYSA-N 0 3 398.507 2.378 40 0 GEABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019500949 210255478 /nfs/dbraw/zinc/25/54/78/210255478.db2.gz PHDAIIJSOBQNCM-UYAOXDASSA-N 0 3 399.539 2.309 40 0 GEABHN O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019376695 210246791 /nfs/dbraw/zinc/24/67/91/210246791.db2.gz YRDOBOMYNJZHNX-IBGZPJMESA-N 0 3 376.464 2.226 40 0 GEABHN O=S(=O)(Cc1cccc(F)c1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019293943 210239722 /nfs/dbraw/zinc/23/97/22/210239722.db2.gz PMSCIASYZLFKPP-GOSISDBHSA-N 0 3 390.484 2.318 40 0 GEABHN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292282 210238619 /nfs/dbraw/zinc/23/86/19/210238619.db2.gz GZWKFLDZUDQEDH-RDJZCZTQSA-N 0 3 398.507 2.094 40 0 GEABHN Cc1ccn(C[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 ZINC000019237916 210235965 /nfs/dbraw/zinc/23/59/65/210235965.db2.gz PQIDJKUVWZLQLT-HNNXBMFYSA-N 0 3 382.512 2.012 40 0 GEABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3[C@H](O)[C@@]21C ZINC000002157207 209349205 /nfs/dbraw/zinc/34/92/05/209349205.db2.gz NIQPEHCERNDLQS-ANPILNASSA-N 0 3 391.508 2.110 40 0 GEABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1)N1CCCC1 ZINC000063528510 212070199 /nfs/dbraw/zinc/07/01/99/212070199.db2.gz NMNOEWHVPRLVRO-LJQANCHMSA-N 0 3 380.492 2.396 40 0 GEABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306129791 212046912 /nfs/dbraw/zinc/04/69/12/212046912.db2.gz IMZWKEXABMTOLI-UHFFFAOYSA-N 0 3 380.496 2.042 40 0 GEABHN COCCN1CC[C@]2(CN(Cc3cccnc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130770 212049060 /nfs/dbraw/zinc/04/90/60/212049060.db2.gz JOYBINWRWBOHDF-SIKLNZKXSA-N 0 3 397.523 2.324 40 0 GEABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cnn(C)c2)CC1 ZINC000306131390 212048831 /nfs/dbraw/zinc/04/88/31/212048831.db2.gz KDCHVFUJYMMKRB-UHFFFAOYSA-N 0 3 399.543 2.016 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cccs4)C[C@H]32)cc1 ZINC000306127661 212046442 /nfs/dbraw/zinc/04/64/42/212046442.db2.gz GEIMKSQTHXLAJW-AEFFLSMTSA-N 0 3 394.500 2.052 40 0 GEABHN Cc1cc(N2C[C@@]3(F)CN(C(=O)CN(C)C(C)C)C[C@@]3(F)C2=O)c(C)s1 ZINC000306125362 212045587 /nfs/dbraw/zinc/04/55/87/212045587.db2.gz CNKZGRPMGAGDGP-ZWKOTPCHSA-N 0 3 385.480 2.311 40 0 GEABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)nc(N2CCOCC2)n1 ZINC000257243443 212009698 /nfs/dbraw/zinc/00/96/98/212009698.db2.gz IGZKLKWMGXJJLB-YNFBMLRVSA-N 0 3 399.539 2.099 40 0 GEABHN CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257241969 212009511 /nfs/dbraw/zinc/00/95/11/212009511.db2.gz IALJSJIDUGZKAK-NJDAHSKKSA-N 0 3 398.507 2.194 40 0 GEABHN C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000257200136 212001256 /nfs/dbraw/zinc/00/12/56/212001256.db2.gz ACDSVFONQDGMOU-NRFANRHFSA-N 0 3 387.455 2.416 40 0 GEABHN C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000257200136 212001259 /nfs/dbraw/zinc/00/12/59/212001259.db2.gz ACDSVFONQDGMOU-NRFANRHFSA-N 0 3 387.455 2.416 40 0 GEABHN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257204230 212003100 /nfs/dbraw/zinc/00/31/00/212003100.db2.gz ATQDSUFRPMXFEO-HSZRJFAPSA-N 0 3 396.535 2.371 40 0 GEABHN CN(C)CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cn1 ZINC000225926362 211936348 /nfs/dbraw/zinc/93/63/48/211936348.db2.gz VYJRLFSQAYYGFP-UHFFFAOYSA-N 0 3 386.496 2.143 40 0 GEABHN CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)n1 ZINC000328967218 209154822 /nfs/dbraw/zinc/15/48/22/209154822.db2.gz CRDFCPUACOPBLX-LBPRGKRZSA-N 0 3 375.498 2.206 40 0 GEABHN CN(C)CCNC(=O)c1cc(-c2cnc(-c3ccnn3C)nc2)cn1CC1CC1 ZINC000096266450 211328898 /nfs/dbraw/zinc/32/88/98/211328898.db2.gz CQOPQOVFQBBETO-UHFFFAOYSA-N 0 3 393.495 2.047 40 0 GEABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075612 211299181 /nfs/dbraw/zinc/29/91/81/211299181.db2.gz NUORUXQKXIGIMW-JPYJTQIMSA-N 0 3 396.535 2.427 40 0 GEABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056130 211298835 /nfs/dbraw/zinc/29/88/35/211298835.db2.gz QLMQWWJNIYADMS-AVRDEDQJSA-N 0 3 379.508 2.283 40 0 GEABHN COc1ccc(CC[NH2+][C@H](C)[C@@H](O)c2ccc([N-]S(C)(=O)=O)c(O)c2)cc1 ZINC000084758837 211176461 /nfs/dbraw/zinc/17/64/61/211176461.db2.gz UOEHIRNDXGQHLQ-BFUOFWGJSA-N 0 3 394.493 2.027 40 0 in-man GEABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373074 211102695 /nfs/dbraw/zinc/10/26/95/211102695.db2.gz LMOUBAQJRCJSPG-KURKYZTESA-N 0 3 386.540 2.264 40 0 GEABHN O=C(CCn1ncc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390801 211107887 /nfs/dbraw/zinc/10/78/87/211107887.db2.gz GPSINPUEPUUISL-GOSISDBHSA-N 0 3 376.464 2.226 40 0 GEABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NCCc3ccccn3)c2C1 ZINC000019711488 210285982 /nfs/dbraw/zinc/28/59/82/210285982.db2.gz DMMKUEMOXUJYLX-UHFFFAOYSA-N 0 3 394.523 2.240 40 0 GEABHN COc1ccc(CCC(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)cc1 ZINC000019711237 210285133 /nfs/dbraw/zinc/28/51/33/210285133.db2.gz KQXFHNGSFAFBSF-UHFFFAOYSA-N 0 3 383.496 2.071 40 0 GEABHN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019710699 210286664 /nfs/dbraw/zinc/28/66/64/210286664.db2.gz PVZJDCCNBDIXKN-MRXNPFEDSA-N 0 3 396.426 2.195 40 0 GEABHN C[C@H]1Cc2cc(C(=O)N3CCn4c(nnc4C4CCN(C)CC4)C3)ccc2O1 ZINC000019711273 210286694 /nfs/dbraw/zinc/28/66/94/210286694.db2.gz BVUCCBFIZINPKY-AWEZNQCLSA-N 0 3 381.480 2.067 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)CC3)C1 ZINC000019709251 210283176 /nfs/dbraw/zinc/28/31/76/210283176.db2.gz INXIQBONICDJKU-QGZVFWFLSA-N 0 3 390.491 2.334 40 0 GEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3)C1)C2=O ZINC000019699832 210282383 /nfs/dbraw/zinc/28/23/83/210282383.db2.gz GWSLAYQJCUHQEU-GOSISDBHSA-N 0 3 398.507 2.086 40 0 GEABHN Cc1cnc(C(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)n2)cn1 ZINC000019698301 210280663 /nfs/dbraw/zinc/28/06/63/210280663.db2.gz DVQFKRSIJBDBQX-FQEVSTJZSA-N 0 3 380.496 2.218 40 0 GEABHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cc1 ZINC000019583529 210270295 /nfs/dbraw/zinc/27/02/95/210270295.db2.gz WSIPELUBWIQXPB-IBGZPJMESA-N 0 3 395.507 2.010 40 0 GEABHN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)ccc1F ZINC000019570779 210268945 /nfs/dbraw/zinc/26/89/45/210268945.db2.gz RIQKDYLFIFZQMB-GOSISDBHSA-N 0 3 390.484 2.486 40 0 GEABHN CN1CCc2nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)ncc2C1 ZINC000019590677 210272719 /nfs/dbraw/zinc/27/27/19/210272719.db2.gz OKKRKKDNEGLMSH-UHFFFAOYSA-N 0 3 384.455 2.389 40 0 GEABHN CN1CCC(N(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000019588106 210271946 /nfs/dbraw/zinc/27/19/46/210271946.db2.gz GCRHXQBFDVUDPE-QGZVFWFLSA-N 0 3 399.495 2.166 40 0 GEABHN COc1ccc(OCC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590407 210271780 /nfs/dbraw/zinc/27/17/80/210271780.db2.gz YYKWHFCODIDIJT-INIZCTEOSA-N 0 3 396.491 2.258 40 0 GEABHN Cc1nc(C)c(CNC[C@@]2(COc3cccc(C)n3)C[C@@H](O)[C@@H](O)C2)s1 ZINC000107430368 560044959 /nfs/dbraw/zinc/04/49/59/560044959.db2.gz MLZOKRWHRPCJLX-HGKCTWBKSA-N 0 3 377.510 2.134 40 0 biogenic,in-vitro GEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(OC)nc2)COC1 ZINC000096112759 560060631 /nfs/dbraw/zinc/06/06/31/560060631.db2.gz HAWKJVPXMLMZJN-HNNXBMFYSA-N 0 3 382.420 2.088 40 0 biogenic,in-vitro GEABHN CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297548 560208235 /nfs/dbraw/zinc/20/82/35/560208235.db2.gz CGBLHCLLRWCKHG-SUMDDJOVSA-N 0 3 385.537 2.369 40 0 biogenic,in-vitro GEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218094418 570325020 /nfs/dbraw/zinc/32/50/20/570325020.db2.gz JIFCIRQKSVAIOQ-HBFSDRIKSA-N 0 3 389.473 2.143 40 0 GEABHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000685939103 570397786 /nfs/dbraw/zinc/39/77/86/570397786.db2.gz IPGDYPVQUJZKFR-GBESFXJTSA-N 0 3 398.511 2.432 40 0 GEABHN OCCCOc1ccc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257343112 570487212 /nfs/dbraw/zinc/48/72/12/570487212.db2.gz ZRNCBJVXSHOXGE-LJQANCHMSA-N 0 3 384.467 2.116 40 0 GEABHN CN(C)CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224272673 570506637 /nfs/dbraw/zinc/50/66/37/570506637.db2.gz QDKPNOWJAJBLHR-UHFFFAOYSA-N 0 3 395.912 2.457 40 0 GEABHN CCN(Cc1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224449348 570513353 /nfs/dbraw/zinc/51/33/53/570513353.db2.gz UZBKIYGQCXOGCJ-UHFFFAOYSA-N 0 3 389.521 2.189 40 0 GEABHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012238136 570629423 /nfs/dbraw/zinc/62/94/23/570629423.db2.gz XBOUDOBHCUPNON-UHFFFAOYSA-N 0 3 382.439 2.195 40 0 GEABHN CN(C)CCN1CCOCC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)C1 ZINC000585102437 570930551 /nfs/dbraw/zinc/93/05/51/570930551.db2.gz KWQBTEZRCCMSOW-UHFFFAOYSA-N 0 3 395.494 2.010 40 0 GEABHN CN(C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(C(F)(F)F)n1 ZINC000329044264 212094381 /nfs/dbraw/zinc/09/43/81/212094381.db2.gz SVVLYKGCAXGPPG-UHFFFAOYSA-N 0 3 379.308 2.474 40 0 GEABHN COc1ccc(S(=O)(=O)N2Cc3ccccc3O[C@@H](CN(C)C)C2)cc1 ZINC000012407686 221188762 /nfs/dbraw/zinc/18/87/62/221188762.db2.gz VERKTBMRAQXSPK-KRWDZBQOSA-N 0 3 376.478 2.209 40 0 GEABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013670034 221279472 /nfs/dbraw/zinc/27/94/72/221279472.db2.gz TXKSUGSFAVGYIE-UHFFFAOYSA-N 0 3 389.521 2.177 40 0 GEABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019022330 221395606 /nfs/dbraw/zinc/39/56/06/221395606.db2.gz PVTKGEXDASYZSI-KRWDZBQOSA-N 0 3 393.491 2.443 40 0 GEABHN COc1ccccc1CN(C(=O)c1ccc(C)n(C)c1=O)C1CCN(C)CC1 ZINC000019131550 221398054 /nfs/dbraw/zinc/39/80/54/221398054.db2.gz TWWLGZBENYEIHR-UHFFFAOYSA-N 0 3 383.492 2.439 40 0 GEABHN O=C(CCn1ncc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019376598 221412999 /nfs/dbraw/zinc/41/29/99/221412999.db2.gz BWKDITRCHPBENG-LJQANCHMSA-N 0 3 376.464 2.226 40 0 GEABHN COc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000035313723 221817369 /nfs/dbraw/zinc/81/73/69/221817369.db2.gz JDVQTOGOVCIMJW-UHFFFAOYSA-N 0 3 397.475 2.423 40 0 GEABHN Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(CC4CC4)C3)nc2n(C)c1=O ZINC000072374579 222243540 /nfs/dbraw/zinc/24/35/40/222243540.db2.gz VZQPBZKSGJJJTG-GFCCVEGCSA-N 0 3 396.413 2.240 40 0 GEABHN CN1CCC(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)CC1 ZINC000072380643 222244805 /nfs/dbraw/zinc/24/48/05/222244805.db2.gz GNGVKMWEXQURNU-IBGZPJMESA-N 0 3 387.528 2.478 40 0 GEABHN CCCc1cc(C(=O)NCCn2nc([C@@H]3CCN(C)C3)c3cccnc32)no1 ZINC000072391594 222248292 /nfs/dbraw/zinc/24/82/92/222248292.db2.gz ZNMDLAURTFRPRN-CQSZACIVSA-N 0 3 382.468 2.221 40 0 GEABHN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CN3CCC(C)CC3)CC2)on1 ZINC000072396456 222251467 /nfs/dbraw/zinc/25/14/67/222251467.db2.gz ZNXJETHTHWGBLO-UHFFFAOYSA-N 0 3 399.495 2.171 40 0 GEABHN COc1ccc2nc(CO[C@H]3CN(C4CCN(C(C)=O)CC4)C[C@H]3F)[nH]c2c1 ZINC000096112260 222381192 /nfs/dbraw/zinc/38/11/92/222381192.db2.gz TUVPYMCJCVCFHQ-APWZRJJASA-N 0 3 390.459 2.121 40 0 biogenic,in-vitro GEABHN CC(C)CN1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@]2(C)CO ZINC000514290238 560030061 /nfs/dbraw/zinc/03/00/61/560030061.db2.gz VKHXFPWMGAFDKH-ICSRJNTNSA-N 0 3 379.932 2.189 40 0 biogenic,in-vitro GEABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514289862 560031141 /nfs/dbraw/zinc/03/11/41/560031141.db2.gz PJYCKZNTIHZKSB-FGZHOGPDSA-N 0 3 395.522 2.374 40 0 biogenic,in-vitro GEABHN CCN(CC)Cc1nc(C2(O)CCN(C3CCN(C(C)=O)CC3)CC2)cs1 ZINC000225462562 560043365 /nfs/dbraw/zinc/04/33/65/560043365.db2.gz AMKZTQIXFDQPEX-UHFFFAOYSA-N 0 3 394.585 2.279 40 0 biogenic,in-vitro GEABHN Cc1noc(C)c1CN1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 ZINC000096260333 570225442 /nfs/dbraw/zinc/22/54/42/570225442.db2.gz FLQDMWOPZRYBHN-UHFFFAOYSA-N 0 3 385.512 2.491 40 0 GEABHN O[C@]1(CNCc2ccc(OCCn3cccn3)cc2)CCN(c2ccccn2)C1 ZINC000585270778 570239281 /nfs/dbraw/zinc/23/92/81/570239281.db2.gz QHBZZXSMCLEUMT-QFIPXVFZSA-N 0 3 393.491 2.088 40 0 GEABHN COCC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284260 570253242 /nfs/dbraw/zinc/25/32/42/570253242.db2.gz WILSVOGXEAMHLO-QFIPXVFZSA-N 0 3 390.524 2.147 40 0 GEABHN CC(C)N1C[C@@H]2COCCN2C2(CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000604381915 570352645 /nfs/dbraw/zinc/35/26/45/570352645.db2.gz VBNGJHMAQGBEFE-QGZVFWFLSA-N 0 3 397.441 2.325 40 0 biogenic,in-vitro GEABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)c1ccccc1 ZINC000257264601 570488096 /nfs/dbraw/zinc/48/80/96/570488096.db2.gz LVFLXJYMROIARC-NRFANRHFSA-N 0 3 384.476 2.090 40 0 GEABHN CCN(c1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224362340 570510925 /nfs/dbraw/zinc/51/09/25/570510925.db2.gz FJHYMLZGJWEKOK-UHFFFAOYSA-N 0 3 375.494 2.193 40 0 GEABHN COc1nc(C)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)c(OC)n1 ZINC000012360876 570645519 /nfs/dbraw/zinc/64/55/19/570645519.db2.gz TUGMCUMFKINOQF-INIZCTEOSA-N 0 3 376.501 2.212 40 0 GEABHN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)CN1CCCCCC1 ZINC000257275229 570773995 /nfs/dbraw/zinc/77/39/95/570773995.db2.gz NOLFZYXRHODUEN-KRWDZBQOSA-N 0 3 398.511 2.019 40 0 GEABHN Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCc2nc3ccc(F)cc3[nH]2)[C@H]1O ZINC000257326166 570782025 /nfs/dbraw/zinc/78/20/25/570782025.db2.gz WWBSPSLCQFQSLQ-WRWLIDTKSA-N 0 3 385.443 2.410 40 0 GEABHN Cc1ncc(C(=O)N2CCC3(CO[C@@H](CN(C)Cc4cccnc4)C3)CC2)[nH]1 ZINC000585104485 570932979 /nfs/dbraw/zinc/93/29/79/570932979.db2.gz PDQRRZGBTDXCPM-GOSISDBHSA-N 0 3 383.496 2.256 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306130206 570939273 /nfs/dbraw/zinc/93/92/73/570939273.db2.gz IZDIFQLYPFJNKJ-HZPDHXFCSA-N 0 3 392.438 2.369 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306131796 570939938 /nfs/dbraw/zinc/93/99/38/570939938.db2.gz KPUDBCDXILSOME-ZWKOTPCHSA-N 0 3 377.448 2.105 40 0 GEABHN CN(C)C(=O)NC[C@@H]1N(C(=O)Cc2ccsc2)CCCC12CCN(C)CC2 ZINC000306141048 570945323 /nfs/dbraw/zinc/94/53/23/570945323.db2.gz VKCHGJOPTOEYJS-KRWDZBQOSA-N 0 3 392.569 2.265 40 0 GEABHN O[C@@]1(c2ccccc2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000019369764 570980486 /nfs/dbraw/zinc/98/04/86/570980486.db2.gz SHCQSNZJMYWVJL-QHCPKHFHSA-N 0 3 382.504 2.491 40 0 GEABHN O[C@@]1(c2ccccc2)CCN(Cc2ccccc2OCCN2CCOCC2)C1 ZINC000019369782 570980683 /nfs/dbraw/zinc/98/06/83/570980683.db2.gz VJKYPBBVABWIPZ-QHCPKHFHSA-N 0 3 382.504 2.491 40 0 GEABHN C[C@@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459190 570988105 /nfs/dbraw/zinc/98/81/05/570988105.db2.gz BLEYJRJYYUUGSF-NVXWUHKLSA-N 0 3 380.492 2.268 40 0 GEABHN C[C@@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1)c1ccccc1 ZINC000019459190 570988109 /nfs/dbraw/zinc/98/81/09/570988109.db2.gz BLEYJRJYYUUGSF-NVXWUHKLSA-N 0 3 380.492 2.268 40 0 GEABHN CCN1CCC[C@@H]1CN(Cc1cnc(N2CCOCC2)nc1)Cc1ccccn1 ZINC000019527175 570997599 /nfs/dbraw/zinc/99/75/99/570997599.db2.gz GACUGYVRFJZYCN-OAQYLSRUSA-N 0 3 396.539 2.195 40 0 GEABHN Cc1nn(CCC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C ZINC000019557063 571003927 /nfs/dbraw/zinc/00/39/27/571003927.db2.gz OKAIIMOMAZSZNJ-UHFFFAOYSA-N 0 3 382.512 2.040 40 0 GEABHN Cc1ncsc1C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019562010 571005939 /nfs/dbraw/zinc/00/59/39/571005939.db2.gz WQHDCOQNAKOFEA-CQSZACIVSA-N 0 3 384.509 2.388 40 0 GEABHN COc1cccc2c1OC[C@@H](C(=O)N1CCc3nc([C@H]4CCCN4)ncc3C1)C2 ZINC000019568319 571009206 /nfs/dbraw/zinc/00/92/06/571009206.db2.gz PSUXWZFXWIHUBO-MAUKXSAKSA-N 0 3 394.475 2.046 40 0 GEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)n1 ZINC000019572978 571010558 /nfs/dbraw/zinc/01/05/58/571010558.db2.gz KBAKDEUPGAAYMF-IAGOWNOFSA-N 0 3 382.512 2.245 40 0 GEABHN COC(=O)c1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1 ZINC000019592542 571019799 /nfs/dbraw/zinc/01/97/99/571019799.db2.gz ARDRXFMJGSYVAI-BHIFYINESA-N 0 3 380.488 2.335 40 0 GEABHN Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCCCN1CCC(C(N)=O)CC1 ZINC000019659558 571024809 /nfs/dbraw/zinc/02/48/09/571024809.db2.gz CMZGEMCKKCPNOC-UHFFFAOYSA-N 0 3 390.915 2.457 40 0 GEABHN CC(C)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699656 571031032 /nfs/dbraw/zinc/03/10/32/571031032.db2.gz HWARLJLSBONHAH-GOSISDBHSA-N 0 3 398.507 2.086 40 0 GEABHN CCC(CC)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 ZINC000019699798 571031071 /nfs/dbraw/zinc/03/10/71/571031071.db2.gz ULZLBMMSHMTLAO-QGZVFWFLSA-N 0 3 392.544 2.208 40 0 GEABHN CN1CCC(c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)CC3)CC1 ZINC000019708908 571033155 /nfs/dbraw/zinc/03/31/55/571033155.db2.gz LSGRKGXZUUCDAI-UHFFFAOYSA-N 0 3 392.507 2.196 40 0 GEABHN CCOc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709502 571034058 /nfs/dbraw/zinc/03/40/58/571034058.db2.gz GJFHQCKADBAJOJ-GOSISDBHSA-N 0 3 397.523 2.113 40 0 GEABHN COc1ccccc1CCC(=O)N1CCc2nnc([C@H]3CCCN(C)C3)n2CC1 ZINC000019709477 571034109 /nfs/dbraw/zinc/03/41/09/571034109.db2.gz QXJGVEHNRHCOMY-SFHVURJKSA-N 0 3 397.523 2.113 40 0 GEABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000019716135 571037877 /nfs/dbraw/zinc/03/78/77/571037877.db2.gz XCYGDAZTIKELAW-HNNXBMFYSA-N 0 3 394.479 2.143 40 0 GEABHN COCCN1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 ZINC000257341572 222779746 /nfs/dbraw/zinc/77/97/46/222779746.db2.gz ZKXYUZYTUDELHD-UHFFFAOYSA-N 0 3 375.469 2.413 40 0 GEABHN C[C@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@]2(CCCN(C)CC2)C1 ZINC000019079589 221396892 /nfs/dbraw/zinc/39/68/92/221396892.db2.gz UIEVNTTXENTBAS-XOBRGWDASA-N 0 3 395.450 2.032 40 0 GEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cccnc21 ZINC000019583210 221430993 /nfs/dbraw/zinc/43/09/93/221430993.db2.gz UMGZKEYIXUNDAP-QGZVFWFLSA-N 0 3 393.491 2.388 40 0 GEABHN Cc1cccc(CN2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244164 136185728 /nfs/dbraw/zinc/18/57/28/136185728.db2.gz OFSNPSVGYIVHIR-JOCHJYFZSA-N 0 3 380.492 2.296 40 0 GEABHN CN(C)c1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)cn1 ZINC000072342664 222231095 /nfs/dbraw/zinc/23/10/95/222231095.db2.gz HVPFVFPCQFDAQP-UHFFFAOYSA-N 0 3 391.523 2.413 40 0 GEABHN O=C(c1n[nH]c2c1CCCCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390819 222247537 /nfs/dbraw/zinc/24/75/37/222247537.db2.gz HLWMNBBKUMGYPE-GOSISDBHSA-N 0 3 380.496 2.482 40 0 GEABHN CC(=O)N1CC[C@@H](c2nn(CCNCc3cccc(F)c3)c3nccnc23)C1 ZINC000072391657 222248479 /nfs/dbraw/zinc/24/84/79/222248479.db2.gz XPLOQGVIZXQGJD-MRXNPFEDSA-N 0 3 382.443 2.091 40 0 GEABHN CC(=O)N1CC[C@H](c2nn(CCNCc3cccc(F)c3)c3nccnc23)C1 ZINC000072391656 222249103 /nfs/dbraw/zinc/24/91/03/222249103.db2.gz XPLOQGVIZXQGJD-INIZCTEOSA-N 0 3 382.443 2.091 40 0 GEABHN Cc1cc(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)on1 ZINC000072394958 222251442 /nfs/dbraw/zinc/25/14/42/222251442.db2.gz FXPLDOWTWZKNIA-MOPGFXCFSA-N 0 3 398.507 2.412 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3OCCc4ccccc43)ncc2C1 ZINC000072397256 222253570 /nfs/dbraw/zinc/25/35/70/222253570.db2.gz BJWIHFFJQSCGEK-PMACEKPBSA-N 0 3 378.476 2.442 40 0 GEABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056139 222376080 /nfs/dbraw/zinc/37/60/80/222376080.db2.gz COHLOXXGUKULSX-AVRDEDQJSA-N 0 3 395.507 2.314 40 0 GEABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075608 222377058 /nfs/dbraw/zinc/37/70/58/222377058.db2.gz VVJSIFHCCMJGCB-JPYJTQIMSA-N 0 3 396.535 2.427 40 0 GEABHN COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccc(OC)cc3)O2)no1 ZINC000077262723 560046531 /nfs/dbraw/zinc/04/65/31/560046531.db2.gz UQTHJSPUBPBGGS-YSIASYRMSA-N 0 3 376.453 2.070 40 0 biogenic,in-vitro GEABHN COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCC2)c1 ZINC000585262420 570230590 /nfs/dbraw/zinc/23/05/90/570230590.db2.gz XHEVRVZSDVDKGZ-CZYKHXBRSA-N 0 3 396.487 2.470 40 0 GEABHN CC(=O)N1CCC(N2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585284145 570251604 /nfs/dbraw/zinc/25/16/04/570251604.db2.gz VHRMAVXGTSEDOL-QFIPXVFZSA-N 0 3 390.524 2.065 40 0 GEABHN Cc1ccc(CNC[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc1 ZINC000585286087 570255742 /nfs/dbraw/zinc/25/57/42/570255742.db2.gz VIBYTYKREJXPJB-JTHBVZDNSA-N 0 3 382.504 2.042 40 0 GEABHN CN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000097952855 570261612 /nfs/dbraw/zinc/26/16/12/570261612.db2.gz OKUWEWOASNCFTM-NRFANRHFSA-N 0 3 397.548 2.489 40 0 GEABHN COc1ccccc1CN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531844 570313039 /nfs/dbraw/zinc/31/30/39/570313039.db2.gz GTKRCJYIQQQWJJ-KRWDZBQOSA-N 0 3 394.537 2.291 40 0 GEABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218604985 570337945 /nfs/dbraw/zinc/33/79/45/570337945.db2.gz SNBMLXNUQAEEEY-AOIWGVFYSA-N 0 3 377.437 2.274 40 0 GEABHN OCCCOc1ccc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257343111 570486949 /nfs/dbraw/zinc/48/69/49/570486949.db2.gz ZRNCBJVXSHOXGE-IBGZPJMESA-N 0 3 384.467 2.116 40 0 GEABHN CCOCCOc1ccc(CNC[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257305140 570488669 /nfs/dbraw/zinc/48/86/69/570488669.db2.gz SOPMSXBMKVZSFE-OAQYLSRUSA-N 0 3 386.496 2.013 40 0 GEABHN CCn1c2ccc(S(=O)(=O)NCCCN3CCC(C)CC3)cc2sc1=O ZINC000225693026 570603943 /nfs/dbraw/zinc/60/39/43/570603943.db2.gz PHWYHRPKSFCTDI-UHFFFAOYSA-N 0 3 397.566 2.483 40 0 GEABHN O=C(NCc1ccccc1)NC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000004981840 570655906 /nfs/dbraw/zinc/65/59/06/570655906.db2.gz QWDYNIRLFVJXII-LJQANCHMSA-N 0 3 384.524 2.495 40 0 GEABHN O=S(=O)(NC[C@@H]1CC2(CCN(Cc3ccccn3)CC2)O1)c1ccccc1 ZINC000247340049 570715054 /nfs/dbraw/zinc/71/50/54/570715054.db2.gz RZWOFDQRKRBHIT-SFHVURJKSA-N 0 3 387.505 2.184 40 0 GEABHN CN1CCN([C@H]2CC[C@](CNC(=O)CC3CC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257232980 570765778 /nfs/dbraw/zinc/76/57/78/570765778.db2.gz GNFBIFATVMAHLY-FIXSFTCYSA-N 0 3 399.579 2.392 40 0 GEABHN COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000257248728 570770104 /nfs/dbraw/zinc/77/01/04/570770104.db2.gz JEXOEGXPAKWQFF-QFIPXVFZSA-N 0 3 399.491 2.285 40 0 GEABHN COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000257248728 570770107 /nfs/dbraw/zinc/77/01/07/570770107.db2.gz JEXOEGXPAKWQFF-QFIPXVFZSA-N 0 3 399.491 2.285 40 0 GEABHN Cc1ccc(C)c(N([C@H](C)C(=O)NCCN2CCCCCC2)S(C)(=O)=O)c1 ZINC000013677384 570772077 /nfs/dbraw/zinc/77/20/77/570772077.db2.gz PTWIXGZDLLUCOV-GOSISDBHSA-N 0 3 395.569 2.450 40 0 GEABHN CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000257274513 570773953 /nfs/dbraw/zinc/77/39/53/570773953.db2.gz NLJFLPRCCYXJFU-SFHVURJKSA-N 0 3 380.492 2.456 40 0 GEABHN Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCC2)c1 ZINC000257287901 570776059 /nfs/dbraw/zinc/77/60/59/570776059.db2.gz PRXYLTYZFUVNNC-CGXNFDGLSA-N 0 3 399.466 2.304 40 0 GEABHN O=C(Cc1ccc(CO)cc1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257287854 570776147 /nfs/dbraw/zinc/77/61/47/570776147.db2.gz PRTGMKTYWOKOMS-FQEVSTJZSA-N 0 3 396.478 2.196 40 0 GEABHN O=C(c1cccc(=O)[nH]1)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257291449 570776985 /nfs/dbraw/zinc/77/69/85/570776985.db2.gz QGZVCUQVWQXKCB-QFIPXVFZSA-N 0 3 381.476 2.203 40 0 GEABHN Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCC2)c1 ZINC000257311641 570779759 /nfs/dbraw/zinc/77/97/59/570779759.db2.gz UKKJEXSGUZALRD-CGXNFDGLSA-N 0 3 381.476 2.165 40 0 GEABHN CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205760 570816528 /nfs/dbraw/zinc/81/65/28/570816528.db2.gz ARWMFBNFXPVULY-SOUVJXGZSA-N 0 3 376.316 2.331 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccoc4)C[C@H]2C3)cc1 ZINC000306123993 570935962 /nfs/dbraw/zinc/93/59/62/570935962.db2.gz BCNRAKGNECZNCV-CVEARBPZSA-N 0 3 393.447 2.436 40 0 GEABHN O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306124524 570936212 /nfs/dbraw/zinc/93/62/12/570936212.db2.gz BSRHWRVRYZHIPY-UHFFFAOYSA-N 0 3 380.496 2.184 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306131795 570939831 /nfs/dbraw/zinc/93/98/31/570939831.db2.gz KPUDBCDXILSOME-ROUUACIJSA-N 0 3 377.448 2.105 40 0 GEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccoc3)CC1)COC2 ZINC000306135574 570941973 /nfs/dbraw/zinc/94/19/73/570941973.db2.gz OVBIUQPEWZXDTI-OAHLLOKOSA-N 0 3 387.484 2.212 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306136264 570942493 /nfs/dbraw/zinc/94/24/93/570942493.db2.gz POFZABSUTNSGAE-IRXDYDNUSA-N 0 3 377.448 2.105 40 0 GEABHN Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)n1 ZINC000306136867 570942533 /nfs/dbraw/zinc/94/25/33/570942533.db2.gz QFGZMKVOLPVINY-UHFFFAOYSA-N 0 3 380.496 2.102 40 0 GEABHN O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585112573 570943161 /nfs/dbraw/zinc/94/31/61/570943161.db2.gz TURVNDOMBOUZDD-QGZVFWFLSA-N 0 3 378.473 2.254 40 0 GEABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254002 570947454 /nfs/dbraw/zinc/94/74/54/570947454.db2.gz RRVYYAJEGIFKDM-QRQLOZEOSA-N 0 3 394.523 2.499 40 0 biogenic,in-vitro GEABHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1F ZINC000019214528 570961236 /nfs/dbraw/zinc/96/12/36/570961236.db2.gz DIXSKWNDHSMDJF-SFHVURJKSA-N 0 3 390.484 2.486 40 0 GEABHN Cc1ccccc1CC(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)CC1 ZINC000019237041 570966794 /nfs/dbraw/zinc/96/67/94/570966794.db2.gz GGAYNTVBJFXVJF-UHFFFAOYSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1ccccc1CC(=O)N1CCC(c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)CC1 ZINC000019237041 570966798 /nfs/dbraw/zinc/96/67/98/570966798.db2.gz GGAYNTVBJFXVJF-UHFFFAOYSA-N 0 3 380.492 2.015 40 0 GEABHN Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019237984 570967302 /nfs/dbraw/zinc/96/73/02/570967302.db2.gz CYDOKEGCOMEVOM-WBVHZDCISA-N 0 3 382.512 2.012 40 0 GEABHN CC(C)NC(=O)[C@H]1CN(Cc2cccnc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450088 570984871 /nfs/dbraw/zinc/98/48/71/570984871.db2.gz UUDDRDAFXLNWBS-OALUTQOASA-N 0 3 394.523 2.212 40 0 GEABHN CCSc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 ZINC000019520534 570994020 /nfs/dbraw/zinc/99/40/20/570994020.db2.gz POVKKOVNMONPBD-SLFFLAALSA-N 0 3 384.549 2.451 40 0 GEABHN COc1cc2c(cc1CN1CC[C@@H](c3nnc(-c4cnccn4)o3)C1)OCCO2 ZINC000019550542 571000955 /nfs/dbraw/zinc/00/09/55/571000955.db2.gz NYRMIQMUNMSMQL-CYBMUJFWSA-N 0 3 395.419 2.296 40 0 GEABHN CN1CCN(C[C@]2(O)CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)CC1 ZINC000585183661 571001172 /nfs/dbraw/zinc/00/11/72/571001172.db2.gz JLRDLGXLZZHIIR-QHCPKHFHSA-N 0 3 398.551 2.092 40 0 GEABHN Cc1ccnn1CCC(=O)N1CCC[C@H]1c1cc(N2CCN(C)CC2)cc(C)n1 ZINC000019698303 571031027 /nfs/dbraw/zinc/03/10/27/571031027.db2.gz REJAQHZMIGRMQH-NRFANRHFSA-N 0 3 396.539 2.401 40 0 GEABHN CN1CCC(c2nnc3n2CCN(C(=O)c2cccc4ncccc42)C3)CC1 ZINC000019711246 571035274 /nfs/dbraw/zinc/03/52/74/571035274.db2.gz AFNSTVXDZMQHNP-UHFFFAOYSA-N 0 3 376.464 2.292 40 0 GEABHN CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297551 291114760 /nfs/dbraw/zinc/11/47/60/291114760.db2.gz CGBLHCLLRWCKHG-WDYCEAGBSA-N 0 3 385.537 2.369 40 0 biogenic,in-vitro GEABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218622972 532483779 /nfs/dbraw/zinc/48/37/79/532483779.db2.gz ZTGXNBPVGAEIBE-JKIFEVAISA-N 0 3 388.917 2.463 40 0 GEABHN COc1cc(C[N@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc(OC)c1OC ZINC000012119979 221153964 /nfs/dbraw/zinc/15/39/64/221153964.db2.gz ZJAYXRLWYSAHSR-ZBFHGGJFSA-N 0 3 385.464 2.266 40 0 GEABHN COc1cc(C[N@@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc(OC)c1OC ZINC000012119979 221153965 /nfs/dbraw/zinc/15/39/65/221153965.db2.gz ZJAYXRLWYSAHSR-ZBFHGGJFSA-N 0 3 385.464 2.266 40 0 GEABHN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000014001095 221295200 /nfs/dbraw/zinc/29/52/00/221295200.db2.gz NMIZMJQKNLOXNA-UHFFFAOYSA-N 0 3 393.491 2.355 40 0 GEABHN Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)sc1C ZINC000019124711 221397515 /nfs/dbraw/zinc/39/75/15/221397515.db2.gz ISSXFWCMSQJJMC-CQSZACIVSA-N 0 3 386.521 2.456 40 0 GEABHN Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)sc1C ZINC000019124711 221397518 /nfs/dbraw/zinc/39/75/18/221397518.db2.gz ISSXFWCMSQJJMC-CQSZACIVSA-N 0 3 386.521 2.456 40 0 GEABHN COc1ccc(OC)c(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c1 ZINC000019551024 221424206 /nfs/dbraw/zinc/42/42/06/221424206.db2.gz WEACAGMNJWSBNZ-UHFFFAOYSA-N 0 3 382.464 2.159 40 0 GEABHN Cn1cc(CN2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1 ZINC000072359061 222239177 /nfs/dbraw/zinc/23/91/77/222239177.db2.gz AMYRIHFFGZTFJC-SFHVURJKSA-N 0 3 376.464 2.356 40 0 GEABHN COc1ccccc1C(=O)NCCn1nc([C@H]2CCN(C)C2)c2cccnc21 ZINC000072391584 222249478 /nfs/dbraw/zinc/24/94/78/222249478.db2.gz SISYKDOCJJSJQF-HNNXBMFYSA-N 0 3 379.464 2.289 40 0 GEABHN CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000096036493 222373568 /nfs/dbraw/zinc/37/35/68/222373568.db2.gz JNEZEASRVOUITC-HXUWFJFHSA-N 0 3 375.538 2.431 40 0 GEABHN Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@@]3(CC(=O)N(C)C3)C2)s1 ZINC000096036097 222373606 /nfs/dbraw/zinc/37/36/06/222373606.db2.gz XJXWZTJPCIEEEZ-LJQANCHMSA-N 0 3 378.542 2.141 40 0 GEABHN COc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056962 222377017 /nfs/dbraw/zinc/37/70/17/222377017.db2.gz YXFARMYOVNERCI-PZJWPPBQSA-N 0 3 376.497 2.171 40 0 GEABHN Cc1cc(C)cc(CN2CC[C@@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)c1 ZINC000096225573 222399679 /nfs/dbraw/zinc/39/96/79/222399679.db2.gz SYJQCWIUOYXPRI-JOCHJYFZSA-N 0 3 384.524 2.236 40 0 GEABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514290284 560030064 /nfs/dbraw/zinc/03/00/64/560030064.db2.gz WGXWOZQNPCINKO-DHIUTWEWSA-N 0 3 377.532 2.235 40 0 biogenic,in-vitro GEABHN c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cc(N2CCOCC2)n1 ZINC000035424624 560080996 /nfs/dbraw/zinc/08/09/96/560080996.db2.gz RHXCMULSIUTSFQ-KRWDZBQOSA-N 0 3 385.468 2.284 40 0 biogenic,in-vitro GEABHN Cc1cccc(CNC[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)c1C ZINC000585285212 570254420 /nfs/dbraw/zinc/25/44/20/570254420.db2.gz PITNZJXRRIVOCA-LADGPHEKSA-N 0 3 396.531 2.350 40 0 GEABHN Cc1cc(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)on1 ZINC000022593254 570322565 /nfs/dbraw/zinc/32/25/65/570322565.db2.gz FXPLDOWTWZKNIA-OALUTQOASA-N 0 3 398.507 2.412 40 0 GEABHN Cc1cc(C)cc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000113967102 570337970 /nfs/dbraw/zinc/33/79/70/570337970.db2.gz IWSDHBPZJYAJJM-UHFFFAOYSA-N 0 3 381.542 2.060 40 0 GEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382111 570353010 /nfs/dbraw/zinc/35/30/10/570353010.db2.gz DYFZRJVDQAVGKL-GXRSIYKFSA-N 0 3 390.487 2.229 40 0 biogenic,in-vitro GEABHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000685939102 570397809 /nfs/dbraw/zinc/39/78/09/570397809.db2.gz IPGDYPVQUJZKFR-CEXWTWQISA-N 0 3 398.511 2.432 40 0 GEABHN CN1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000035853316 570552382 /nfs/dbraw/zinc/55/23/82/570552382.db2.gz GTRYYLOJCHCPAT-UHFFFAOYSA-N 0 3 392.547 2.392 40 0 GEABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000044913708 570642746 /nfs/dbraw/zinc/64/27/46/570642746.db2.gz BDYKYNVLGLOOQI-UHFFFAOYSA-N 0 3 392.975 2.306 40 0 GEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)C(C)C)[C@H](N3CCCCC3)[C@H]2O)c1 ZINC000257209244 570761150 /nfs/dbraw/zinc/76/11/50/570761150.db2.gz BPOYAHHEWUGVNH-ZRNYENFQSA-N 0 3 376.497 2.203 40 0 GEABHN Cc1ccc(C(=O)N2CCC[C@@](O)(CN3CCC(F)(F)CC3)CC2)c(=O)[nH]1 ZINC000257309624 570779356 /nfs/dbraw/zinc/77/93/56/570779356.db2.gz UBRBOMGOWIZXCQ-SFHVURJKSA-N 0 3 383.439 2.184 40 0 GEABHN C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C[C@H]1O ZINC000585103034 570931611 /nfs/dbraw/zinc/93/16/11/570931611.db2.gz BMAOFYMFNORTQS-LSTHTHJFSA-N 0 3 388.508 2.106 40 0 GEABHN C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C[C@H]1O ZINC000585103034 570931614 /nfs/dbraw/zinc/93/16/14/570931614.db2.gz BMAOFYMFNORTQS-LSTHTHJFSA-N 0 3 388.508 2.106 40 0 GEABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2scnc2C)CC1 ZINC000306123512 570935935 /nfs/dbraw/zinc/93/59/35/570935935.db2.gz APBNQJVWESZMJL-UHFFFAOYSA-N 0 3 388.541 2.411 40 0 GEABHN O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306130275 570939397 /nfs/dbraw/zinc/93/93/97/570939397.db2.gz JAVDZJGJTOVFKQ-UHFFFAOYSA-N 0 3 380.496 2.184 40 0 GEABHN COCCN1CC[C@]2(CN(Cc3cccnc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130768 570939416 /nfs/dbraw/zinc/93/94/16/570939416.db2.gz JOYBINWRWBOHDF-DENIHFKCSA-N 0 3 397.523 2.324 40 0 GEABHN CN(C)C(=O)NC[C@@H]1N(C(=O)c2ccsc2)CCCC12CCN(C)CC2 ZINC000306136895 570942679 /nfs/dbraw/zinc/94/26/79/570942679.db2.gz QGFNNMSPYSJDCV-INIZCTEOSA-N 0 3 378.542 2.336 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccco4)C[C@H]2C3)cc1 ZINC000306141739 570945218 /nfs/dbraw/zinc/94/52/18/570945218.db2.gz WEZCQFSZOAUIKT-HUUCEWRRSA-N 0 3 393.447 2.436 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccco4)C[C@@H]2C3)cc1 ZINC000306141738 570945334 /nfs/dbraw/zinc/94/53/34/570945334.db2.gz WEZCQFSZOAUIKT-GJZGRUSLSA-N 0 3 393.447 2.436 40 0 GEABHN Cn1c(C(=O)NC[C@H]2CC3(CCN(Cc4cc[nH]n4)CC3)O2)cc2ccccc21 ZINC000306142925 570945780 /nfs/dbraw/zinc/94/57/80/570945780.db2.gz XOGFVWMKSBMCEG-GOSISDBHSA-N 0 3 393.491 2.455 40 0 GEABHN Cn1nc(C2CC2)cc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019288843 570970981 /nfs/dbraw/zinc/97/09/81/570970981.db2.gz UKINZWKUWZSPEW-UHFFFAOYSA-N 0 3 380.496 2.095 40 0 GEABHN O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292328 570972814 /nfs/dbraw/zinc/97/28/14/570972814.db2.gz YHCWDEOUHVEJQS-NVXWUHKLSA-N 0 3 384.480 2.052 40 0 GEABHN O=S(=O)(c1ccc(F)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019335119 570976087 /nfs/dbraw/zinc/97/60/87/570976087.db2.gz WYFMXKODFNTDHJ-QGZVFWFLSA-N 0 3 376.457 2.177 40 0 GEABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](CC4CC4)C3)nc2C1 ZINC000019347686 570978234 /nfs/dbraw/zinc/97/82/34/570978234.db2.gz KIVDAIDYGTYTPW-HNNXBMFYSA-N 0 3 396.466 2.307 40 0 GEABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](CC4CC4)C3)nc2C1 ZINC000019347686 570978237 /nfs/dbraw/zinc/97/82/37/570978237.db2.gz KIVDAIDYGTYTPW-HNNXBMFYSA-N 0 3 396.466 2.307 40 0 GEABHN CCOc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019532109 570999115 /nfs/dbraw/zinc/99/91/15/570999115.db2.gz CSQBEPRCQQYDAN-UHFFFAOYSA-N 0 3 398.507 2.378 40 0 GEABHN CCOc1cc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019532109 570999119 /nfs/dbraw/zinc/99/91/19/570999119.db2.gz CSQBEPRCQQYDAN-UHFFFAOYSA-N 0 3 398.507 2.378 40 0 GEABHN COc1cc2sc(NC(=O)[C@@H]3CCCN(CCC(N)=O)C3)nc2cc1Cl ZINC000019550660 571000966 /nfs/dbraw/zinc/00/09/66/571000966.db2.gz GYIJNRVAHYMVMZ-SNVBAGLBSA-N 0 3 396.900 2.484 40 0 GEABHN COc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1OC ZINC000019567616 571008911 /nfs/dbraw/zinc/00/89/11/571008911.db2.gz OKHKEBXOYUMIMN-HNNXBMFYSA-N 0 3 384.480 2.377 40 0 GEABHN COc1cccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1OC ZINC000019567616 571008912 /nfs/dbraw/zinc/00/89/12/571008912.db2.gz OKHKEBXOYUMIMN-HNNXBMFYSA-N 0 3 384.480 2.377 40 0 GEABHN Cc1noc(C)c1CCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019580621 571012885 /nfs/dbraw/zinc/01/28/85/571012885.db2.gz WUKAUBSIHDBKOA-UHFFFAOYSA-N 0 3 383.496 2.408 40 0 GEABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCC4)C3)C1 ZINC000019588620 571016371 /nfs/dbraw/zinc/01/63/71/571016371.db2.gz NAONGWGEZILHLZ-AWEZNQCLSA-N 0 3 380.496 2.086 40 0 GEABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cn1cccnc1=O ZINC000019590188 571017029 /nfs/dbraw/zinc/01/70/29/571017029.db2.gz ZKAMBLCZIKKKIX-SFHLNBCPSA-N 0 3 380.492 2.112 40 0 GEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[n-]c(=O)c2C1 ZINC000019590266 571017045 /nfs/dbraw/zinc/01/70/45/571017045.db2.gz AOICLUSQIHEGTR-ZDUSSCGKSA-N 0 3 383.452 2.055 40 0 GEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[n-]c(=O)c2C1 ZINC000019590266 571017049 /nfs/dbraw/zinc/01/70/49/571017049.db2.gz AOICLUSQIHEGTR-ZDUSSCGKSA-N 0 3 383.452 2.055 40 0 GEABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)ncc2C1 ZINC000019590535 571018128 /nfs/dbraw/zinc/01/81/28/571018128.db2.gz HRAUNIDZZQSVPJ-GOSISDBHSA-N 0 3 380.496 2.434 40 0 GEABHN Cn1c(C(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)cc2cc(F)ccc21 ZINC000019710988 571034739 /nfs/dbraw/zinc/03/47/39/571034739.db2.gz SDMVNPSDIGFRKT-CQSZACIVSA-N 0 3 396.470 2.374 40 0 GEABHN CCN(CC)Cc1ccccc1NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000019716286 571038303 /nfs/dbraw/zinc/03/83/03/571038303.db2.gz LCPYQFALRKSLBM-UHFFFAOYSA-N 0 3 395.463 2.024 40 0 GEABHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCC1 ZINC000007728107 531542936 /nfs/dbraw/zinc/54/29/36/531542936.db2.gz KWXSHNUOFGRHQA-UHFFFAOYSA-N 0 3 377.304 2.222 40 0 GEABHN Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)cc(C)c1Br ZINC000019368939 531578000 /nfs/dbraw/zinc/57/80/00/531578000.db2.gz QRIFAQAAZFKUPH-UHFFFAOYSA-N 0 3 398.345 2.198 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242592358 532518058 /nfs/dbraw/zinc/51/80/58/532518058.db2.gz ORHPMQATDKFAGE-CPUCHLNUSA-N 0 3 388.917 2.463 40 0 GEABHN COc1cc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cc(OC)c1 ZINC000329008100 212093063 /nfs/dbraw/zinc/09/30/63/212093063.db2.gz LOZMCVRBCQETGD-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN COc1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c(OC)c1 ZINC000328961000 212090930 /nfs/dbraw/zinc/09/09/30/212090930.db2.gz AZYMQIPVYUFYSR-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN C[NH+](C)Cc1ccc(CN2CCc3c(nc(-c4ccncc4)[n-]c3=O)C2)cc1 ZINC000012325655 221182254 /nfs/dbraw/zinc/18/22/54/221182254.db2.gz OJNUIGJNICETSD-UHFFFAOYSA-N 0 3 375.476 2.452 40 0 GEABHN CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000012366364 221184421 /nfs/dbraw/zinc/18/44/21/221184421.db2.gz ZYRKWIWUOSUPQM-RTWAWAEBSA-N 0 3 395.503 2.085 40 0 GEABHN C[C@@H]1CN(C2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000012363740 221184957 /nfs/dbraw/zinc/18/49/57/221184957.db2.gz WSEUETHMVHJQFV-IAGOWNOFSA-N 0 3 384.524 2.200 40 0 GEABHN COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019078545 221395444 /nfs/dbraw/zinc/39/54/44/221395444.db2.gz TYDNBXPDQHVYBG-HZPDHXFCSA-N 0 3 396.491 2.304 40 0 GEABHN Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019083746 221396952 /nfs/dbraw/zinc/39/69/52/221396952.db2.gz QBIDSEXEDKALFI-UHFFFAOYSA-N 0 3 382.512 2.173 40 0 GEABHN COCc1ccc(OC)c(CN2CCc3nnc([C@@H]4CCCCN4)n3CC2)c1 ZINC000072372814 222242434 /nfs/dbraw/zinc/24/24/34/222242434.db2.gz CTHXLAFCTXHYBN-SFHVURJKSA-N 0 3 385.512 2.306 40 0 GEABHN Cn1ccnc1N[C@@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074219 222376854 /nfs/dbraw/zinc/37/68/54/222376854.db2.gz JKTUNEDWXRAWBK-HNNXBMFYSA-N 0 3 394.479 2.183 40 0 GEABHN COc1ccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514288472 560035148 /nfs/dbraw/zinc/03/51/48/560035148.db2.gz BAVWCKGVOMDELX-FGZHOGPDSA-N 0 3 393.531 2.201 40 0 biogenic,in-vitro GEABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)CC1 ZINC000035424607 560080864 /nfs/dbraw/zinc/08/08/64/560080864.db2.gz HGIMKLSGPJPKRK-SFHVURJKSA-N 0 3 398.511 2.199 40 0 biogenic,in-vitro GEABHN CCOc1ccc([C@@H](C)N(C)C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000019747435 570213931 /nfs/dbraw/zinc/21/39/31/570213931.db2.gz WXXOFKYBMDICDU-MRXNPFEDSA-N 0 3 387.524 2.405 40 0 GEABHN CN(CCO)C(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762694 570216971 /nfs/dbraw/zinc/21/69/71/570216971.db2.gz JMYPVWXASBRAAR-MRXNPFEDSA-N 0 3 393.491 2.022 40 0 GEABHN CN(C)c1ncc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)n(CC3CC3)c2)cn1 ZINC000096266409 570227280 /nfs/dbraw/zinc/22/72/80/570227280.db2.gz AWAIDQOWSLDOOT-GOSISDBHSA-N 0 3 382.512 2.197 40 0 GEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CCCCCC1 ZINC000585281838 570248047 /nfs/dbraw/zinc/24/80/47/570248047.db2.gz CBPBMGNJWOYVQK-HXUWFJFHSA-N 0 3 385.451 2.492 40 0 GEABHN CC(=O)N1CCC(N2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585284141 570251792 /nfs/dbraw/zinc/25/17/92/570251792.db2.gz VHRMAVXGTSEDOL-JOCHJYFZSA-N 0 3 390.524 2.065 40 0 GEABHN COCC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284255 570253288 /nfs/dbraw/zinc/25/32/88/570253288.db2.gz WILSVOGXEAMHLO-JOCHJYFZSA-N 0 3 390.524 2.147 40 0 GEABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(F)cc2)C1 ZINC000585286429 570255730 /nfs/dbraw/zinc/25/57/30/570255730.db2.gz ZMJUMKQAZGDKAP-AZUAARDMSA-N 0 3 392.858 2.207 40 0 GEABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)ccc21 ZINC000004969239 570420419 /nfs/dbraw/zinc/42/04/19/570420419.db2.gz XHZDEBUYNIZULV-MRXNPFEDSA-N 0 3 393.553 2.386 40 0 GEABHN O=C(c1cccc(OCCN2CCCC2)c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257224423 570763535 /nfs/dbraw/zinc/76/35/35/570763535.db2.gz FBTRBRDSZZVMDZ-SFTDATJTSA-N 0 3 398.507 2.196 40 0 GEABHN CCOc1ccc([C@H]2[C@H](C(=O)N(C)CCN(C)C)CCC(=O)N2CC)cc1 ZINC000257332237 570783031 /nfs/dbraw/zinc/78/30/31/570783031.db2.gz XWIPAIISBUPODR-QUCCMNQESA-N 0 3 375.513 2.405 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)CC1 ZINC000257332113 570909459 /nfs/dbraw/zinc/90/94/59/570909459.db2.gz XVUUOIARIWWSBI-BZUAXINKSA-N 0 3 388.512 2.081 40 0 GEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)CC1 ZINC000257332113 570909461 /nfs/dbraw/zinc/90/94/61/570909461.db2.gz XVUUOIARIWWSBI-BZUAXINKSA-N 0 3 388.512 2.081 40 0 GEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccoc4)C[C@@H]2C3)cc1 ZINC000306123996 570935850 /nfs/dbraw/zinc/93/58/50/570935850.db2.gz BCNRAKGNECZNCV-JKSUJKDBSA-N 0 3 393.447 2.436 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1CC[C@@H]1CN(Cc3ccco3)C[C@H]21 ZINC000306127139 570937224 /nfs/dbraw/zinc/93/72/24/570937224.db2.gz FPJGOIKLVHSQPR-AEFFLSMTSA-N 0 3 377.448 2.420 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cccs4)C[C@H]32)cc1 ZINC000306127664 570938028 /nfs/dbraw/zinc/93/80/28/570938028.db2.gz GEIMKSQTHXLAJW-WMZOPIPTSA-N 0 3 394.500 2.052 40 0 GEABHN Cc1cc(C)cc(C(=O)N2CCc3nc4n(c(=O)c3C2)[C@H](CN(C)C)CCC4)c1 ZINC000585110223 570939137 /nfs/dbraw/zinc/93/91/37/570939137.db2.gz YLCFBNXJFPYFDG-SFHVURJKSA-N 0 3 394.519 2.498 40 0 GEABHN CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137532 570943050 /nfs/dbraw/zinc/94/30/50/570943050.db2.gz QZEVCHAYKHEUGY-SIKLNZKXSA-N 0 3 396.539 2.426 40 0 GEABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(CC1CC1)C[C@H]2c1cccnc1 ZINC000306140103 570944378 /nfs/dbraw/zinc/94/43/78/570944378.db2.gz UJYRJPOHWOIQRS-RBBKRZOGSA-N 0 3 378.476 2.084 40 0 GEABHN COCCN1CC[C@@]2(CN(Cc3ccccn3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143444 570946233 /nfs/dbraw/zinc/94/62/33/570946233.db2.gz YCNZVGSDCHUOIV-KNQAVFIVSA-N 0 3 397.523 2.324 40 0 GEABHN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccco3)CC2)C1 ZINC000306143867 570946252 /nfs/dbraw/zinc/94/62/52/570946252.db2.gz YOSROQUFMNTSBU-SFHVURJKSA-N 0 3 389.521 2.323 40 0 GEABHN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019457728 570987636 /nfs/dbraw/zinc/98/76/36/570987636.db2.gz WBQBDFJTFGSZGC-QRWLVFNGSA-N 0 3 390.491 2.472 40 0 GEABHN C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCNC5)C3)ccc2O1 ZINC000019497931 570990433 /nfs/dbraw/zinc/99/04/33/570990433.db2.gz FWOWRNZPEXRRCB-ZBFHGGJFSA-N 0 3 378.476 2.466 40 0 GEABHN CCN1CCN(C2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)CC1 ZINC000019528138 570998358 /nfs/dbraw/zinc/99/83/58/570998358.db2.gz AEMIXIXWZNFPLC-UHFFFAOYSA-N 0 3 381.524 2.174 40 0 GEABHN COc1ccc(OCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019556769 571003576 /nfs/dbraw/zinc/00/35/76/571003576.db2.gz GMGCGYXWLNKJEC-IBGZPJMESA-N 0 3 382.464 2.264 40 0 GEABHN COc1cccc2c1OC[C@H](C(=O)N1CCc3nc([C@H]4CCCN4)ncc3C1)C2 ZINC000019568316 571009188 /nfs/dbraw/zinc/00/91/88/571009188.db2.gz PSUXWZFXWIHUBO-CRAIPNDOSA-N 0 3 394.475 2.046 40 0 GEABHN COc1ccccc1CCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019569837 571009871 /nfs/dbraw/zinc/00/98/71/571009871.db2.gz AOELFUULPZEWCY-UHFFFAOYSA-N 0 3 380.492 2.470 40 0 GEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)n1 ZINC000019572984 571010828 /nfs/dbraw/zinc/01/08/28/571010828.db2.gz KBAKDEUPGAAYMF-SJORKVTESA-N 0 3 382.512 2.245 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1 ZINC000019574023 571011283 /nfs/dbraw/zinc/01/12/83/571011283.db2.gz VKXYYQUNJSTAAZ-UHFFFAOYSA-N 0 3 382.512 2.122 40 0 GEABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)COc2ccccc2F)C3)CC1 ZINC000019588297 571015544 /nfs/dbraw/zinc/01/55/44/571015544.db2.gz MLDQCFOHSLAYDF-UHFFFAOYSA-N 0 3 384.455 2.389 40 0 GEABHN CN(C(=O)CCCn1cncn1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586714 571015646 /nfs/dbraw/zinc/01/56/46/571015646.db2.gz ZGNKZXBQJWUWTP-UHFFFAOYSA-N 0 3 383.496 2.380 40 0 GEABHN COCCOc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019593668 571019860 /nfs/dbraw/zinc/01/98/60/571019860.db2.gz LQKODFYWVRHNNS-IBGZPJMESA-N 0 3 382.464 2.125 40 0 GEABHN Nc1nc(C(F)(F)F)nn1CC(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000019654763 571022865 /nfs/dbraw/zinc/02/28/65/571022865.db2.gz CKXMSFVMAAJUFW-CQSZACIVSA-N 0 3 396.417 2.223 40 0 GEABHN CNc1nc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc2c1CCNC2 ZINC000019711341 571035291 /nfs/dbraw/zinc/03/52/91/571035291.db2.gz BHDQXLXZFNFXAL-UHFFFAOYSA-N 0 3 398.486 2.121 40 0 GEABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004133607 220684542 /nfs/dbraw/zinc/68/45/42/220684542.db2.gz QADVTCSDTNQKEE-UHFFFAOYSA-N 0 3 376.526 2.185 40 0 GEABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012219541 221169654 /nfs/dbraw/zinc/16/96/54/221169654.db2.gz QYNOAWFXXJUCTN-IBGZPJMESA-N 0 3 398.459 2.391 40 0 GEABHN O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H](CN4CCCC4)C3)ccc2N1 ZINC000012239375 221172096 /nfs/dbraw/zinc/17/20/96/221172096.db2.gz QSFABPGFCLWAJE-HNNXBMFYSA-N 0 3 377.510 2.068 40 0 GEABHN O=S(=O)([N-]C[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1)c1cccs1 ZINC000012602465 221214194 /nfs/dbraw/zinc/21/41/94/221214194.db2.gz IDTKSTNSKGIOIT-YESZJQIVSA-N 0 3 383.583 2.223 40 0 biogenic,in-vitro GEABHN CC[C@H](C(=O)NCCN1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716850 221284741 /nfs/dbraw/zinc/28/47/41/221284741.db2.gz SSEDGQVCINVOFJ-LJQANCHMSA-N 0 3 395.569 2.450 40 0 GEABHN CC(=O)Nc1ccc(CN2C[C@@H](CO)[C@]3(C2)CCc2ccccc2C(=O)N3)cc1 ZINC000019022510 221394602 /nfs/dbraw/zinc/39/46/02/221394602.db2.gz QFQVLMRVOPZRCQ-WMZHIEFXSA-N 0 3 393.487 2.184 40 0 GEABHN O=S1(=O)CC[C@@H](NCCn2cncc2-c2[nH]c3ccccc3c2Cl)C1 ZINC000019719396 221447513 /nfs/dbraw/zinc/44/75/13/221447513.db2.gz MAVBLRRYLSULHD-GFCCVEGCSA-N 0 3 378.885 2.462 40 0 GEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(O)cc1 ZINC000020636775 221506933 /nfs/dbraw/zinc/50/69/33/221506933.db2.gz JGHUUAAZDLOCKT-MOPGFXCFSA-N 0 3 393.443 2.157 40 0 GEABHN Cc1cccc(CN2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244165 136185684 /nfs/dbraw/zinc/18/56/84/136185684.db2.gz OFSNPSVGYIVHIR-QFIPXVFZSA-N 0 3 380.492 2.296 40 0 GEABHN CNC(=O)[C@@]12CCC3(CCN(Cc4ccc(OC)cc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096036267 222372302 /nfs/dbraw/zinc/37/23/02/222372302.db2.gz XOGALBRRCZOQRB-NZQKXSOJSA-N 0 3 399.535 2.282 40 0 GEABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075609 222376865 /nfs/dbraw/zinc/37/68/65/222376865.db2.gz NUORUXQKXIGIMW-FDDCHVKYSA-N 0 3 396.535 2.427 40 0 GEABHN COc1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c(OC)c1 ZINC000329070902 570216967 /nfs/dbraw/zinc/21/69/67/570216967.db2.gz ZKVMWBQWIVYLDA-UHFFFAOYSA-N 0 3 394.479 2.117 40 0 GEABHN COCCN1CCOC[C@@]2(CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000096228765 570221515 /nfs/dbraw/zinc/22/15/15/570221515.db2.gz PJSGEAZWLRROGE-QFIPXVFZSA-N 0 3 385.508 2.298 40 0 GEABHN Cc1noc(C)c1CN1CCc2cc(C(=O)NCC3CC3)c(N(C)C)nc2CC1 ZINC000096260362 570225412 /nfs/dbraw/zinc/22/54/12/570225412.db2.gz KRKBWIMFFYGDGU-UHFFFAOYSA-N 0 3 397.523 2.493 40 0 GEABHN CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1cnn(C)c1)CC2 ZINC000096260470 570225840 /nfs/dbraw/zinc/22/58/40/570225840.db2.gz IHDVVYKZLONVSS-UHFFFAOYSA-N 0 3 396.539 2.472 40 0 GEABHN CC(C)n1cnc2c1[C@H](C(=O)NCCN1CCCC1)N(Cc1cccnc1)CC2 ZINC000096265053 570227059 /nfs/dbraw/zinc/22/70/59/570227059.db2.gz UMODJJZTJRUJOE-OAQYLSRUSA-N 0 3 396.539 2.170 40 0 GEABHN CC(=O)N1CC2(CCN(Cc3ccc(C)s3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000097952881 570261507 /nfs/dbraw/zinc/26/15/07/570261507.db2.gz DYWHRKWDNQLQCH-HXUWFJFHSA-N 0 3 375.538 2.349 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CCN(C)CC1 ZINC000113943426 570335353 /nfs/dbraw/zinc/33/53/53/570335353.db2.gz XXQFZCIXUZMPNA-UHFFFAOYSA-N 0 3 393.553 2.240 40 0 GEABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccc4c(c3)OCO4)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382140 570353539 /nfs/dbraw/zinc/35/35/39/570353539.db2.gz HILKCFMYXRICBE-NCXUSEDFSA-N 0 3 399.491 2.019 40 0 biogenic,in-vitro GEABHN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000023421720 570362176 /nfs/dbraw/zinc/36/21/76/570362176.db2.gz XOMZABAHKXQDLR-UHFFFAOYSA-N 0 3 387.505 2.336 40 0 GEABHN COc1ccc(CN(CCN(C)C)Cc2cccnc2)cc1CN1CCOCC1 ZINC000022931561 570379423 /nfs/dbraw/zinc/37/94/23/570379423.db2.gz RBLDFNLOJBUYBL-UHFFFAOYSA-N 0 3 398.551 2.486 40 0 GEABHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000043380337 570421217 /nfs/dbraw/zinc/42/12/17/570421217.db2.gz RRKTZKIUPZVBMF-NAMIHCHVSA-N 0 3 394.471 2.110 40 0 GEABHN Cn1ccnc1COc1ccc(CNC[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000257285717 570488506 /nfs/dbraw/zinc/48/85/06/570488506.db2.gz PILMKUZDIKICES-JOCHJYFZSA-N 0 3 393.491 2.125 40 0 GEABHN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000224262376 570506389 /nfs/dbraw/zinc/50/63/89/570506389.db2.gz QBTQVLVAPAKDMI-UHFFFAOYSA-N 0 3 375.494 2.112 40 0 GEABHN Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000095474883 570540722 /nfs/dbraw/zinc/54/07/22/570540722.db2.gz LZRJPMXVUMQKJB-JTSKRJEESA-N 0 3 389.540 2.324 40 0 GEABHN COCCNC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133526 570618135 /nfs/dbraw/zinc/61/81/35/570618135.db2.gz ZSOAWZMXBBQIBF-UHFFFAOYSA-N 0 3 390.553 2.029 40 0 GEABHN COc1cc(CNC(C)(C)CO)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540328 570760354 /nfs/dbraw/zinc/76/03/54/570760354.db2.gz LUEZLKMYMCXUHB-UHFFFAOYSA-N 0 3 397.479 2.419 40 0 GEABHN COCCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540441 570760412 /nfs/dbraw/zinc/76/04/12/570760412.db2.gz PYILLUKDURCMNB-UHFFFAOYSA-N 0 3 383.452 2.294 40 0 GEABHN C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000257247318 570769705 /nfs/dbraw/zinc/76/97/05/570769705.db2.gz IYKUCLRXQMRFEW-GBGLDMQLSA-N 0 3 394.475 2.244 40 0 GEABHN Cc1nc(N)sc1C(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257285866 570776137 /nfs/dbraw/zinc/77/61/37/570776137.db2.gz PJGLMWGHJYWKHZ-MRXNPFEDSA-N 0 3 388.484 2.122 40 0 GEABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257322305 570781343 /nfs/dbraw/zinc/78/13/43/570781343.db2.gz WFKQXHYBDTYTCV-HXUWFJFHSA-N 0 3 394.519 2.337 40 0 GEABHN NC[C@@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215775 570816967 /nfs/dbraw/zinc/81/69/67/570816967.db2.gz JIRVDPWRCFPHGZ-IXDOHACOSA-N 0 3 396.306 2.326 40 0 GEABHN CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205610 570839488 /nfs/dbraw/zinc/83/94/88/570839488.db2.gz ARWMFBNFXPVULY-QLFBSQMISA-N 0 3 376.316 2.331 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306136265 570942504 /nfs/dbraw/zinc/94/25/04/570942504.db2.gz POFZABSUTNSGAE-SJORKVTESA-N 0 3 377.448 2.105 40 0 GEABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306144577 570946844 /nfs/dbraw/zinc/94/68/44/570946844.db2.gz ZJFXWVNMDCRKAR-IRXDYDNUSA-N 0 3 391.479 2.051 40 0 GEABHN Cc1ccc(CC(=O)N2CC[C@H](c3nn(CCN(C)C)c4nccnc34)C2)cc1 ZINC000019209262 570959903 /nfs/dbraw/zinc/95/99/03/570959903.db2.gz CUIJCINLUKOSDS-SFHVURJKSA-N 0 3 392.507 2.255 40 0 GEABHN CC(C)NC(=O)Cn1cc(CN2CCN(C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000019449937 570985036 /nfs/dbraw/zinc/98/50/36/570985036.db2.gz NPYQPPBMDHXBEI-HXUWFJFHSA-N 0 3 398.551 2.463 40 0 GEABHN COc1cc(CN2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)ccc1O ZINC000019550071 571000381 /nfs/dbraw/zinc/00/03/81/571000381.db2.gz ZWVRHNHPHMZBDL-INIZCTEOSA-N 0 3 380.452 2.362 40 0 GEABHN COc1cccc(OC)c1C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019567005 571008114 /nfs/dbraw/zinc/00/81/14/571008114.db2.gz WZAWMYGQPKTFDS-HNNXBMFYSA-N 0 3 384.480 2.377 40 0 GEABHN COc1cccc(OC)c1C[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019567005 571008117 /nfs/dbraw/zinc/00/81/17/571008117.db2.gz WZAWMYGQPKTFDS-HNNXBMFYSA-N 0 3 384.480 2.377 40 0 GEABHN COc1ccccc1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569849 571009721 /nfs/dbraw/zinc/00/97/21/571009721.db2.gz IYEQCMKXEPAPBQ-KRWDZBQOSA-N 0 3 380.492 2.470 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 ZINC000019574020 571011033 /nfs/dbraw/zinc/01/10/33/571011033.db2.gz RMRJPEWGYPEVOI-UHFFFAOYSA-N 0 3 396.539 2.464 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)n1 ZINC000019574066 571011295 /nfs/dbraw/zinc/01/12/95/571011295.db2.gz MPEBGUZCRIVPQG-QGZVFWFLSA-N 0 3 382.512 2.122 40 0 GEABHN CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)CN1CCCCC1 ZINC000019583447 571014010 /nfs/dbraw/zinc/01/40/10/571014010.db2.gz LHPWVHQLHKAUKN-UHFFFAOYSA-N 0 3 387.503 2.353 40 0 GEABHN CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)C1 ZINC000019590220 571017133 /nfs/dbraw/zinc/01/71/33/571017133.db2.gz XEVRRHKSVUXLER-OAGGEKHMSA-N 0 3 388.512 2.081 40 0 GEABHN CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)C1 ZINC000019590220 571017138 /nfs/dbraw/zinc/01/71/38/571017138.db2.gz XEVRRHKSVUXLER-OAGGEKHMSA-N 0 3 388.512 2.081 40 0 GEABHN COc1cc(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)on1 ZINC000019590285 571017160 /nfs/dbraw/zinc/01/71/60/571017160.db2.gz HLRQJCOTEQRISI-KRWDZBQOSA-N 0 3 385.468 2.148 40 0 GEABHN COc1ccc(OCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590406 571017897 /nfs/dbraw/zinc/01/78/97/571017897.db2.gz YYKWHFCODIDIJT-MRXNPFEDSA-N 0 3 396.491 2.258 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)ncc2C1 ZINC000019590534 571018014 /nfs/dbraw/zinc/01/80/14/571018014.db2.gz HRAUNIDZZQSVPJ-SFHVURJKSA-N 0 3 380.496 2.434 40 0 GEABHN COc1ccc(CCC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590598 571018203 /nfs/dbraw/zinc/01/82/03/571018203.db2.gz ZYQBFTPJPFGLSQ-QGZVFWFLSA-N 0 3 380.492 2.422 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ncc2C1 ZINC000019590488 571018227 /nfs/dbraw/zinc/01/82/27/571018227.db2.gz RJTQWXMYSCBQDP-CQSZACIVSA-N 0 3 390.484 2.172 40 0 GEABHN CNc1nc(C2CCN(CC(=O)Nc3ccccc3F)CC2)nc2c1CCNC2 ZINC000019711545 571035692 /nfs/dbraw/zinc/03/56/92/571035692.db2.gz DBYSUWXBKXGYIO-UHFFFAOYSA-N 0 3 398.486 2.121 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218623050 532483528 /nfs/dbraw/zinc/48/35/28/532483528.db2.gz ZTGXNBPVGAEIBE-JJRVBVJISA-N 0 3 388.917 2.463 40 0 GEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(N)CN)cc1 ZINC000242547657 532518107 /nfs/dbraw/zinc/51/81/07/532518107.db2.gz KQFNUBBSMLSZKG-GVDBMIGSSA-N 0 3 395.322 2.353 40 0 GEABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242750561 532518221 /nfs/dbraw/zinc/51/82/21/532518221.db2.gz ZTGXNBPVGAEIBE-VBQJREDUSA-N 0 3 388.917 2.463 40 0 GEABHN COc1ccc2c(c1)C[C@@H](CN1CCC3(CC1)C(=O)NCN3c1ccccc1)O2 ZINC000002024379 212261477 /nfs/dbraw/zinc/26/14/77/212261477.db2.gz QSTYMRMEJNQSJW-FQEVSTJZSA-N 0 3 393.487 2.427 40 0 GEABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(=S)NC ZINC000035314963 212117710 /nfs/dbraw/zinc/11/77/10/212117710.db2.gz NUZSUBIHYNJOEK-QGZVFWFLSA-N 0 3 397.552 2.377 40 0 GEABHN COc1cc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc(OC)c1 ZINC000329066899 212094829 /nfs/dbraw/zinc/09/48/29/212094829.db2.gz YEILNEOQJPLONL-UHFFFAOYSA-N 0 3 385.390 2.074 40 0 GEABHN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccncc2C)C3)c(OC)n1 ZINC000012089099 221149165 /nfs/dbraw/zinc/14/91/65/221149165.db2.gz RCKOOXKMIUWWPT-QRTHJKPMSA-N 0 3 384.480 2.317 40 0 GEABHN CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000012366365 221185307 /nfs/dbraw/zinc/18/53/07/221185307.db2.gz ZYRKWIWUOSUPQM-SFTDATJTSA-N 0 3 395.503 2.085 40 0 GEABHN O=C(COc1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1)N1CCOCC1 ZINC000012241291 221171623 /nfs/dbraw/zinc/17/16/23/221171623.db2.gz QSGWKBYLJOTJCH-QHCPKHFHSA-N 0 3 396.487 2.018 40 0 GEABHN CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019022501 221395402 /nfs/dbraw/zinc/39/54/02/221395402.db2.gz AMWDJPYWYUAAET-UHFFFAOYSA-N 0 3 389.459 2.391 40 0 GEABHN CC(=O)Nc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019022501 221395405 /nfs/dbraw/zinc/39/54/05/221395405.db2.gz AMWDJPYWYUAAET-UHFFFAOYSA-N 0 3 389.459 2.391 40 0 GEABHN CCOC(=O)Cn1cc(C[N@@H+]2CCc3nc(C)[n-]c(=O)c3C2)c2ccccc21 ZINC000072347457 222234986 /nfs/dbraw/zinc/23/49/86/222234986.db2.gz HUGVIYMBPTVCSU-UHFFFAOYSA-N 0 3 380.448 2.154 40 0 GEABHN CCOC(=O)Cn1cc(C[N@H+]2CCc3nc(C)[n-]c(=O)c3C2)c2ccccc21 ZINC000072347457 222234989 /nfs/dbraw/zinc/23/49/89/222234989.db2.gz HUGVIYMBPTVCSU-UHFFFAOYSA-N 0 3 380.448 2.154 40 0 GEABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096036878 222372623 /nfs/dbraw/zinc/37/26/23/222372623.db2.gz SEMHDORGFVSEOA-GOSISDBHSA-N 0 3 383.496 2.037 40 0 GEABHN CN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036356 222372879 /nfs/dbraw/zinc/37/28/79/222372879.db2.gz FNGDFROSNXNFEA-NRFANRHFSA-N 0 3 397.548 2.489 40 0 GEABHN Cc1cccnc1CNC[C@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 ZINC000096112782 222381916 /nfs/dbraw/zinc/38/19/16/222381916.db2.gz HXMXKLQMJHVJLO-AWEZNQCLSA-N 0 3 386.477 2.004 40 0 biogenic,in-vitro GEABHN COc1ccc(CN[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCOCC2)cc1 ZINC000585262389 570230332 /nfs/dbraw/zinc/23/03/32/570230332.db2.gz LNEJQRAPBYEOQY-LUKWVAJMSA-N 0 3 398.503 2.066 40 0 GEABHN OC1(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CCCCCC1 ZINC000585282735 570250867 /nfs/dbraw/zinc/25/08/67/570250867.db2.gz NFIXNQZWGKIHNZ-HXUWFJFHSA-N 0 3 385.451 2.492 40 0 GEABHN COc1ccc(CC[NH2+][C@@H](C)[C@@H](O)c2ccc([N-]S(C)(=O)=O)c(O)c2)cc1 ZINC000004194713 570362368 /nfs/dbraw/zinc/36/23/68/570362368.db2.gz UOEHIRNDXGQHLQ-ORAYPTAESA-N 0 3 394.493 2.027 40 0 in-man GEABHN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NC)cc2c1 ZINC000000928154 570538755 /nfs/dbraw/zinc/53/87/55/570538755.db2.gz XWYURXBXNWWSGY-UHFFFAOYSA-N 0 3 388.537 2.329 40 0 GEABHN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038836366 570587209 /nfs/dbraw/zinc/58/72/09/570587209.db2.gz NLZPHGDKQCCHRD-KRWDZBQOSA-N 0 3 377.460 2.338 40 0 GEABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000044901922 570640782 /nfs/dbraw/zinc/64/07/82/570640782.db2.gz FZRWHRXVIASCTC-IAGOWNOFSA-N 0 3 393.553 2.460 40 0 GEABHN Cc1nc([C@]2(C)CCCN(C3CCN(S(C)(=O)=O)CC3)C2)c2sccn12 ZINC000257246286 570769347 /nfs/dbraw/zinc/76/93/47/570769347.db2.gz ITLFBSKJBQEVAP-GOSISDBHSA-N 0 3 396.582 2.482 40 0 GEABHN CNCC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257245977 570769697 /nfs/dbraw/zinc/76/96/97/570769697.db2.gz IRYDVEFHOHARDA-NSHDSACASA-N 0 3 380.374 2.169 40 0 GEABHN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCN2CCCCCC2)S(C)(=O)=O)c1 ZINC000013677386 570772294 /nfs/dbraw/zinc/77/22/94/570772294.db2.gz PTWIXGZDLLUCOV-SFHVURJKSA-N 0 3 395.569 2.450 40 0 GEABHN COc1ccccc1[C@H]1CNCCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000257311743 570779791 /nfs/dbraw/zinc/77/97/91/570779791.db2.gz UKUXPYOENCBUCT-GOSISDBHSA-N 0 3 397.475 2.442 40 0 GEABHN CN(C)CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010111521 570781971 /nfs/dbraw/zinc/78/19/71/570781971.db2.gz CJDPQEBPWLMXBA-UHFFFAOYSA-N 0 3 395.912 2.213 40 0 GEABHN NCC1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000218215626 570816851 /nfs/dbraw/zinc/81/68/51/570816851.db2.gz BEPBZYPFWLQYCH-HZPDHXFCSA-N 0 3 395.322 2.293 40 0 GEABHN CNCc1cc(NC)nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)n1 ZINC000019760630 570888662 /nfs/dbraw/zinc/88/86/62/570888662.db2.gz GVSVFXLLGYIXBA-CQSZACIVSA-N 0 3 395.916 2.417 40 0 GEABHN CC(C)c1snnc1C(=O)N1CCC[C@]2(CCCN2CC(=O)N(C)C)CC1 ZINC000585100862 570928458 /nfs/dbraw/zinc/92/84/58/570928458.db2.gz ZHWOWJMEIYSMIA-IBGZPJMESA-N 0 3 393.557 2.210 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585103156 570931501 /nfs/dbraw/zinc/93/15/01/570931501.db2.gz DVKMXFIZTQJWAG-ZWKOTPCHSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585103156 570931502 /nfs/dbraw/zinc/93/15/02/570931502.db2.gz DVKMXFIZTQJWAG-ZWKOTPCHSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)s1 ZINC000585103108 570931525 /nfs/dbraw/zinc/93/15/25/570931525.db2.gz DEGFJGPQPDSWPP-KRWDZBQOSA-N 0 3 393.553 2.228 40 0 GEABHN COCCN1CC[C@]2(CN(Cc3ccncc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124323 570936330 /nfs/dbraw/zinc/93/63/30/570936330.db2.gz BMSLTEYOVUWYPU-DENIHFKCSA-N 0 3 397.523 2.324 40 0 GEABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccsc4)C[C@H]32)cc1 ZINC000306127403 570937306 /nfs/dbraw/zinc/93/73/06/570937306.db2.gz FYAMFTZUHMUBKD-MSOLQXFVSA-N 0 3 394.500 2.052 40 0 GEABHN Cn1cc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)cn1 ZINC000306127315 570937362 /nfs/dbraw/zinc/93/73/62/570937362.db2.gz FVGXIUPNHMFPFJ-UHFFFAOYSA-N 0 3 383.525 2.177 40 0 GEABHN Cn1cc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)cn1 ZINC000306129842 570938586 /nfs/dbraw/zinc/93/85/86/570938586.db2.gz IOPXZUOWSPKBEE-UHFFFAOYSA-N 0 3 395.486 2.254 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306130205 570939379 /nfs/dbraw/zinc/93/93/79/570939379.db2.gz IZDIFQLYPFJNKJ-HOTGVXAUSA-N 0 3 392.438 2.369 40 0 GEABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306136263 570942833 /nfs/dbraw/zinc/94/28/33/570942833.db2.gz POFZABSUTNSGAE-IAGOWNOFSA-N 0 3 377.448 2.105 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccccn3)C[C@@H]1C2 ZINC000306139156 570943693 /nfs/dbraw/zinc/94/36/93/570943693.db2.gz SQTAHOABWUGVBE-LSDHHAIUSA-N 0 3 392.438 2.369 40 0 GEABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306144575 570946725 /nfs/dbraw/zinc/94/67/25/570946725.db2.gz ZJFXWVNMDCRKAR-DLBZAZTESA-N 0 3 391.479 2.051 40 0 GEABHN COc1ccc2[nH]cc([C@@H](O)CN3CCC(O)(Cn4ccnc4C)CC3)c2c1 ZINC000019287929 570970602 /nfs/dbraw/zinc/97/06/02/570970602.db2.gz YOMMAJNKDCDYBE-FQEVSTJZSA-N 0 3 384.480 2.242 40 0 GEABHN O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292281 570972695 /nfs/dbraw/zinc/97/26/95/570972695.db2.gz GZWKFLDZUDQEDH-NVXWUHKLSA-N 0 3 398.507 2.094 40 0 GEABHN Cc1ncsc1C(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019562013 571005871 /nfs/dbraw/zinc/00/58/71/571005871.db2.gz WQHDCOQNAKOFEA-AWEZNQCLSA-N 0 3 384.509 2.388 40 0 GEABHN COc1cccc2c1OC[C@@H](C(=O)N1CCc3nc([C@@H]4CCCN4)ncc3C1)C2 ZINC000019568313 571009233 /nfs/dbraw/zinc/00/92/33/571009233.db2.gz PSUXWZFXWIHUBO-YJBOKZPZSA-N 0 3 394.475 2.046 40 0 GEABHN COc1ccccc1OCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019571423 571010322 /nfs/dbraw/zinc/01/03/22/571010322.db2.gz HQEZULAITVWXJK-KRWDZBQOSA-N 0 3 382.464 2.264 40 0 GEABHN COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c1 ZINC000019587999 571015808 /nfs/dbraw/zinc/01/58/08/571015808.db2.gz ZTPDJGACWBYQMX-CQSZACIVSA-N 0 3 382.464 2.111 40 0 GEABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCCC4)C3)C1 ZINC000019588622 571016375 /nfs/dbraw/zinc/01/63/75/571016375.db2.gz DROOMQAJANMXFF-OAHLLOKOSA-N 0 3 394.523 2.476 40 0 GEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[n-]c(=O)c2C1 ZINC000019590265 571016906 /nfs/dbraw/zinc/01/69/06/571016906.db2.gz AOICLUSQIHEGTR-CYBMUJFWSA-N 0 3 383.452 2.055 40 0 GEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[n-]c(=O)c2C1 ZINC000019590265 571016909 /nfs/dbraw/zinc/01/69/09/571016909.db2.gz AOICLUSQIHEGTR-CYBMUJFWSA-N 0 3 383.452 2.055 40 0 GEABHN COc1ccccc1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590423 571018170 /nfs/dbraw/zinc/01/81/70/571018170.db2.gz UGPYDHPXHZKCHV-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCCC5)C3)ncc2C1 ZINC000019590429 571018208 /nfs/dbraw/zinc/01/82/08/571018208.db2.gz GCAMWIHMAHQPGA-HNNXBMFYSA-N 0 3 394.523 2.476 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)ncc2C1 ZINC000019590410 571018239 /nfs/dbraw/zinc/01/82/39/571018239.db2.gz MJXIQEDGPBIKPF-OAHLLOKOSA-N 0 3 384.455 2.389 40 0 GEABHN COc1ccccc1CCC(=O)N1CCn2c(nnc2C2CCN(C)CC2)C1 ZINC000019711253 571035070 /nfs/dbraw/zinc/03/50/70/571035070.db2.gz MICFFNNHVIMGGK-UHFFFAOYSA-N 0 3 383.496 2.071 40 0 GEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cccc4cccnc42)C3)C1 ZINC000019711094 571035200 /nfs/dbraw/zinc/03/52/00/571035200.db2.gz AOHYZIATKDPMKC-MRXNPFEDSA-N 0 3 376.464 2.292 40 0 GEABHN CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 ZINC000019711609 571035554 /nfs/dbraw/zinc/03/55/54/571035554.db2.gz NVKAYPCPDBQZBR-QGZVFWFLSA-N 0 3 384.459 2.079 40 0 GEABHN Cc1ccc(OCCN(C)C)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1 ZINC000019715023 571036958 /nfs/dbraw/zinc/03/69/58/571036958.db2.gz BDBLUUCWTSBAMY-UHFFFAOYSA-N 0 3 380.448 2.435 40 0 GEABHN O[C@@H]1[C@@H](Sc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc2c(c1)OCO2 ZINC000012483323 291117241 /nfs/dbraw/zinc/11/72/41/291117241.db2.gz PDIUTLFCWLYDKA-OUUBHVDSSA-N 0 3 387.457 2.150 40 0 biogenic,in-vitro GEABHN C[C@@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@@]2(CCCN(C)CC2)C1 ZINC000019079579 221395981 /nfs/dbraw/zinc/39/59/81/221395981.db2.gz UIEVNTTXENTBAS-JLTOFOAXSA-N 0 3 395.450 2.032 40 0 GEABHN COC(C)(C)C(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(C)=O)c2)CC1 ZINC000019697952 221441494 /nfs/dbraw/zinc/44/14/94/221441494.db2.gz FCKGRIBAJPSSGE-LJQANCHMSA-N 0 3 388.512 2.147 40 0 GEABHN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(Cc2ccccc2)C1 ZINC000096244561 136185824 /nfs/dbraw/zinc/18/58/24/136185824.db2.gz ZOTWJXJJHGPZLZ-QFIPXVFZSA-N 0 3 380.492 2.296 40 0 GEABHN CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NCc1ccc(CO)o1 ZINC000067890335 222165260 /nfs/dbraw/zinc/16/52/60/222165260.db2.gz RJNKTWFUEUYCBC-QRWLVFNGSA-N 0 3 389.496 2.339 40 0 biogenic,in-vitro GEABHN CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc21 ZINC000072345805 222232585 /nfs/dbraw/zinc/23/25/85/222232585.db2.gz DYHNBCBLKSVAAS-HXUWFJFHSA-N 0 3 393.553 2.354 40 0 GEABHN O=S(=O)(N1CCCC1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355139 222239226 /nfs/dbraw/zinc/23/92/26/222239226.db2.gz BORXJTPJIGKXMR-SFHVURJKSA-N 0 3 392.569 2.141 40 0 GEABHN CN(C)c1cc(C[C@@H]2CNCCN(C(=O)Cc3ccc(Cl)cc3)C2)ncn1 ZINC000072355159 222239888 /nfs/dbraw/zinc/23/98/88/222239888.db2.gz XGACUECHXQMDQV-MRXNPFEDSA-N 0 3 387.915 2.029 40 0 GEABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccn4)C[C@H]32)c(OCC)n1 ZINC000072392647 222248208 /nfs/dbraw/zinc/24/82/08/222248208.db2.gz COINZKNYKNQMPD-RRMPHLOHSA-N 0 3 384.480 2.399 40 0 GEABHN CN1CC[C@@H](c2nn(CCNC(=O)COc3ccccc3)c3ncccc23)C1 ZINC000072391583 222249467 /nfs/dbraw/zinc/24/94/67/222249467.db2.gz FXYONFUVLKEDJW-MRXNPFEDSA-N 0 3 379.464 2.046 40 0 GEABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)o1 ZINC000096036824 222372724 /nfs/dbraw/zinc/37/27/24/222372724.db2.gz PDUZRWIZAGDRBI-SFHVURJKSA-N 0 3 384.480 2.297 40 0 GEABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)o1 ZINC000096036823 222373479 /nfs/dbraw/zinc/37/34/79/222373479.db2.gz PDUZRWIZAGDRBI-GOSISDBHSA-N 0 3 384.480 2.297 40 0 GEABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056098 222377315 /nfs/dbraw/zinc/37/73/15/222377315.db2.gz YACHTMFKRWCHTN-JXFKEZNVSA-N 0 3 385.537 2.345 40 0 GEABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228829 222399604 /nfs/dbraw/zinc/39/96/04/222399604.db2.gz ATSRAFLLPYWLIN-QFIPXVFZSA-N 0 3 384.524 2.284 40 0 GEABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514288444 560035034 /nfs/dbraw/zinc/03/50/34/560035034.db2.gz ACZQANYCKWENJO-LEWJYISDSA-N 0 3 381.495 2.331 40 0 biogenic,in-vitro GEABHN Cc1cccc(OC[C@]2(CNCc3ccc(F)c(F)c3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107283852 560044746 /nfs/dbraw/zinc/04/47/46/560044746.db2.gz SZHAKTJDOFHRKO-OPVJXMOQSA-N 0 3 378.419 2.339 40 0 biogenic,in-vitro GEABHN CCc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN3CC(=O)N(C)C)CC2)o1 ZINC000019746326 570213712 /nfs/dbraw/zinc/21/37/12/570213712.db2.gz OCZVIPPQKORHKW-QGZVFWFLSA-N 0 3 390.528 2.340 40 0 GEABHN CN1CCC(C(=O)N2CC(C(=O)Nc3nc4c(s3)CCCCC4)C2)CC1 ZINC000019747216 570213911 /nfs/dbraw/zinc/21/39/11/570213911.db2.gz JZEHDBHNDKYUPH-UHFFFAOYSA-N 0 3 376.526 2.151 40 0 GEABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228821 570221254 /nfs/dbraw/zinc/22/12/54/570221254.db2.gz JHFIAZFBXUEKDN-QFIPXVFZSA-N 0 3 384.524 2.284 40 0 GEABHN CN(Cc1ccc(OCCCO)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585270516 570239443 /nfs/dbraw/zinc/23/94/43/570239443.db2.gz YGSGGPPJNAIUBB-OAQYLSRUSA-N 0 3 389.471 2.055 40 0 GEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282694 570250881 /nfs/dbraw/zinc/25/08/81/570250881.db2.gz MXEZXGKQEUSQOS-OAQYLSRUSA-N 0 3 394.487 2.059 40 0 GEABHN CC(C)(C)[C@H]1CC[C@](O)(CN2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000585285469 570254852 /nfs/dbraw/zinc/25/48/52/570254852.db2.gz YPWVXUYZBZDUGU-JLEJFLCFSA-N 0 3 394.556 2.044 40 0 GEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(O)cc1 ZINC000020636771 570273812 /nfs/dbraw/zinc/27/38/12/570273812.db2.gz JGHUUAAZDLOCKT-RBUKOAKNSA-N 0 3 393.443 2.157 40 0 GEABHN Cc1c(F)cccc1CN1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21 ZINC000108527767 570313083 /nfs/dbraw/zinc/31/30/83/570313083.db2.gz JRNPOWCKAZSIOM-DFQSSKMNSA-N 0 3 376.472 2.266 40 0 GEABHN Cc1nccc(C[C@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382599 570353772 /nfs/dbraw/zinc/35/37/72/570353772.db2.gz UDLSABIBQSHRSF-NCXUSEDFSA-N 0 3 395.425 2.494 40 0 biogenic,in-vitro GEABHN CN1CCN(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000044913712 570643011 /nfs/dbraw/zinc/64/30/11/570643011.db2.gz VZSCXBWWOGWLMS-UHFFFAOYSA-N 0 3 392.975 2.306 40 0 GEABHN CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205519 570816521 /nfs/dbraw/zinc/81/65/21/570816521.db2.gz ARWMFBNFXPVULY-ILXRZTDVSA-N 0 3 376.316 2.331 40 0 GEABHN NCC1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215495 570816976 /nfs/dbraw/zinc/81/69/76/570816976.db2.gz BEPBZYPFWLQYCH-CVEARBPZSA-N 0 3 395.322 2.293 40 0 GEABHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN1CCCCC1 ZINC000042645573 570914235 /nfs/dbraw/zinc/91/42/35/570914235.db2.gz YUEUIIKFZREARS-UHFFFAOYSA-N 0 3 393.553 2.385 40 0 GEABHN CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019446819 570925833 /nfs/dbraw/zinc/92/58/33/570925833.db2.gz WXHLEJHCXOGUNW-RBUKOAKNSA-N 0 3 376.549 2.500 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104023 570929717 /nfs/dbraw/zinc/92/97/17/570929717.db2.gz KREWQSVFODBLGO-MSOLQXFVSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104023 570929718 /nfs/dbraw/zinc/92/97/18/570929718.db2.gz KREWQSVFODBLGO-MSOLQXFVSA-N 0 3 388.508 2.169 40 0 GEABHN Cc1ncc(C(=O)N2CCC3(CO[C@H](CN(C)Cc4cccnc4)C3)CC2)[nH]1 ZINC000585104488 570933027 /nfs/dbraw/zinc/93/30/27/570933027.db2.gz PDQRRZGBTDXCPM-SFHVURJKSA-N 0 3 383.496 2.256 40 0 GEABHN CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccc(F)c1)CC3 ZINC000585110157 570938961 /nfs/dbraw/zinc/93/89/61/570938961.db2.gz QSDKBHFDDIEAEI-MRXNPFEDSA-N 0 3 384.455 2.020 40 0 GEABHN Cc1ccc(-n2nccc2-c2nc(C(=O)NCCN(C)C)c3cnccn32)cc1 ZINC000306130835 570939353 /nfs/dbraw/zinc/93/93/53/570939353.db2.gz JQXXCKITKPELBZ-UHFFFAOYSA-N 0 3 389.463 2.182 40 0 GEABHN C[C@H](CC(=O)N(C[C@H]1CCCO1)C1CCN(C)CC1)n1nnc2ccccc21 ZINC000019455085 570986425 /nfs/dbraw/zinc/98/64/25/570986425.db2.gz LNNRUHNVYOAJHQ-SJLPKXTDSA-N 0 3 385.512 2.484 40 0 GEABHN CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019501596 570992859 /nfs/dbraw/zinc/99/28/59/570992859.db2.gz HLZJFZGFGOBLDF-QGZVFWFLSA-N 0 3 395.507 2.229 40 0 GEABHN CCSc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 ZINC000019520535 570994212 /nfs/dbraw/zinc/99/42/12/570994212.db2.gz POVKKOVNMONPBD-HSALFYBXSA-N 0 3 384.549 2.451 40 0 GEABHN COc1ccc(OCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019556766 571003562 /nfs/dbraw/zinc/00/35/62/571003562.db2.gz GMGCGYXWLNKJEC-LJQANCHMSA-N 0 3 382.464 2.264 40 0 GEABHN COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019588600 571016574 /nfs/dbraw/zinc/01/65/74/571016574.db2.gz IPRAHHLQHICPBC-KRWDZBQOSA-N 0 3 380.492 2.422 40 0 GEABHN COc1ccccc1CC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019590260 571017102 /nfs/dbraw/zinc/01/71/02/571017102.db2.gz JKPUAAAUSHZSLB-INIZCTEOSA-N 0 3 396.491 2.127 40 0 GEABHN COc1ccccc1CC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019590260 571017103 /nfs/dbraw/zinc/01/71/03/571017103.db2.gz JKPUAAAUSHZSLB-INIZCTEOSA-N 0 3 396.491 2.127 40 0 GEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)Cn3cnc4ccccc43)ncc2C1 ZINC000019590525 571017880 /nfs/dbraw/zinc/01/78/80/571017880.db2.gz AUFIRBYQAOQJNG-IBGZPJMESA-N 0 3 376.464 2.178 40 0 GEABHN CN1CCc2nc(C3CCN(C(=O)[C@@H]4OCCc5ccccc54)CC3)ncc2C1 ZINC000019590663 571018730 /nfs/dbraw/zinc/01/87/30/571018730.db2.gz POGOHTDUBVVSEM-OAQYLSRUSA-N 0 3 392.503 2.485 40 0 GEABHN Cc1cnc(C(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)n2)cn1 ZINC000019698302 571031085 /nfs/dbraw/zinc/03/10/85/571031085.db2.gz DVQFKRSIJBDBQX-HXUWFJFHSA-N 0 3 380.496 2.218 40 0 GEABHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cn3cnnn3)cc2)CC1 ZINC000019714858 571036474 /nfs/dbraw/zinc/03/64/74/571036474.db2.gz CFIYBZQRYDEXJN-UHFFFAOYSA-N 0 3 390.491 2.458 40 0 GEABHN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3CCOCC3)CCN21 ZINC000253408373 212135924 /nfs/dbraw/zinc/13/59/24/212135924.db2.gz XRASHDVAIPBSMH-FQEVSTJZSA-N 0 3 386.540 2.156 40 0 biogenic,in-vitro GEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccn2)n1 ZINC000329056124 212094291 /nfs/dbraw/zinc/09/42/91/212094291.db2.gz VRHCCMQRQDLEOX-UHFFFAOYSA-N 0 3 384.871 2.459 40 0 GEABHN CN(C)C(=O)[C@]12CN(Cc3ccccc3F)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251154 136185672 /nfs/dbraw/zinc/18/56/72/136185672.db2.gz HECYTFDCXQEJJW-WIYYLYMNSA-N 0 3 383.471 2.175 40 0 GEABHN Cc1ccccc1CN1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244166 136185768 /nfs/dbraw/zinc/18/57/68/136185768.db2.gz HJWVCGPAGGNFNM-JOCHJYFZSA-N 0 3 380.492 2.296 40 0 GEABHN COc1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380591 222245250 /nfs/dbraw/zinc/24/52/50/222245250.db2.gz DDJJTXZBGIHLIB-QGZVFWFLSA-N 0 3 384.480 2.270 40 0 GEABHN CN1CC[C@H](c2nn(CCNC(=O)COc3ccccc3)c3ncccc23)C1 ZINC000072391582 222248225 /nfs/dbraw/zinc/24/82/25/222248225.db2.gz FXYONFUVLKEDJW-INIZCTEOSA-N 0 3 379.464 2.046 40 0 GEABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1 ZINC000096036879 222373212 /nfs/dbraw/zinc/37/32/12/222373212.db2.gz RIICRWWOKKCORT-SFHVURJKSA-N 0 3 383.496 2.037 40 0 GEABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056029 222374860 /nfs/dbraw/zinc/37/48/60/222374860.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 0 3 386.496 2.290 40 0 GEABHN CN1CCC(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)CC1 ZINC000219158777 536340977 /nfs/dbraw/zinc/34/09/77/536340977.db2.gz YRIYTWUCYLDEHG-UHFFFAOYSA-N 0 3 385.489 2.073 40 0 GEABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)cn1 ZINC000035425423 560080358 /nfs/dbraw/zinc/08/03/58/560080358.db2.gz CNYNZAOICJOXFZ-KRWDZBQOSA-N 0 3 387.484 2.388 40 0 biogenic,in-vitro GEABHN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)cn2)CC1 ZINC000049155143 560083898 /nfs/dbraw/zinc/08/38/98/560083898.db2.gz GHCCEQUJPQEBGH-SFHVURJKSA-N 0 3 398.511 2.199 40 0 biogenic,in-vitro GEABHN CC1(C)Cc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000019719716 570210891 /nfs/dbraw/zinc/21/08/91/570210891.db2.gz ZEPJIZKZLXHBTO-INIZCTEOSA-N 0 3 375.494 2.040 40 0 GEABHN CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1cccnc1)CC2 ZINC000096260386 570225393 /nfs/dbraw/zinc/22/53/93/570225393.db2.gz UBXRZIUCXGIJRU-UHFFFAOYSA-N 0 3 379.508 2.379 40 0 GEABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCO)cc2)c1 ZINC000585269789 570238642 /nfs/dbraw/zinc/23/86/42/570238642.db2.gz JKNOHLGYKDLCJA-SFHVURJKSA-N 0 3 375.465 2.328 40 0 GEABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CCCCCC1 ZINC000585281837 570247944 /nfs/dbraw/zinc/24/79/44/570247944.db2.gz CBPBMGNJWOYVQK-FQEVSTJZSA-N 0 3 385.451 2.492 40 0 GEABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585281843 570248419 /nfs/dbraw/zinc/24/84/19/570248419.db2.gz CDBCGMNDBDUPEF-ICSRJNTNSA-N 0 3 385.451 2.227 40 0 GEABHN Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095474884 570540640 /nfs/dbraw/zinc/54/06/40/570540640.db2.gz LZRJPMXVUMQKJB-VGOFRKELSA-N 0 3 389.540 2.324 40 0 GEABHN CCc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(OC)cc3)n2n1 ZINC000038828805 570584156 /nfs/dbraw/zinc/58/41/56/570584156.db2.gz WPQWRIIAUHCAHM-UHFFFAOYSA-N 0 3 392.463 2.239 40 0 GEABHN COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1 ZINC000257229792 570765050 /nfs/dbraw/zinc/76/50/50/570765050.db2.gz FZMQIPDOAJRASU-INIZCTEOSA-N 0 3 398.511 2.254 40 0 GEABHN CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000257274512 570774032 /nfs/dbraw/zinc/77/40/32/570774032.db2.gz NLJFLPRCCYXJFU-GOSISDBHSA-N 0 3 380.492 2.456 40 0 GEABHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@@H]21 ZINC000257295091 570777457 /nfs/dbraw/zinc/77/74/57/570777457.db2.gz QWYJYIKJGXOYEJ-PYNNRZRQSA-N 0 3 387.524 2.290 40 0 GEABHN COCCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257307913 570779329 /nfs/dbraw/zinc/77/93/29/570779329.db2.gz TUQQLBZQJFPWQC-CTNGQTDRSA-N 0 3 387.524 2.132 40 0 GEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 ZINC000019760660 570888720 /nfs/dbraw/zinc/88/87/20/570888720.db2.gz HWKMMRLWAGLZFU-SFHVURJKSA-N 0 3 388.560 2.190 40 0 GEABHN CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc(CC)cc3)C2)O1 ZINC000306131483 570939971 /nfs/dbraw/zinc/93/99/71/570939971.db2.gz KGARCYROPSFGDG-PZJWPPBQSA-N 0 3 375.513 2.318 40 0 GEABHN CN(C)CCNC(=O)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 ZINC000306133313 570941064 /nfs/dbraw/zinc/94/10/64/570941064.db2.gz MIDSONJPCWPJEF-IBGZPJMESA-N 0 3 392.507 2.358 40 0 GEABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306134080 570941424 /nfs/dbraw/zinc/94/14/24/570941424.db2.gz NDCKPCVCHCONKN-HOTGVXAUSA-N 0 3 392.438 2.369 40 0 GEABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140102 570944184 /nfs/dbraw/zinc/94/41/84/570944184.db2.gz UJYRJPOHWOIQRS-IRLDBZIGSA-N 0 3 378.476 2.084 40 0 GEABHN O=C(c1cccc(Cn2cccn2)c1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019293274 570973224 /nfs/dbraw/zinc/97/32/24/570973224.db2.gz ZXMZKPNBRKKRQY-FQEVSTJZSA-N 0 3 388.475 2.344 40 0 GEABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@H+](CC4CC4)C3)nc2C1 ZINC000019347684 570977963 /nfs/dbraw/zinc/97/79/63/570977963.db2.gz KIVDAIDYGTYTPW-OAHLLOKOSA-N 0 3 396.466 2.307 40 0 GEABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@@H+](CC4CC4)C3)nc2C1 ZINC000019347684 570977967 /nfs/dbraw/zinc/97/79/67/570977967.db2.gz KIVDAIDYGTYTPW-OAHLLOKOSA-N 0 3 396.466 2.307 40 0 GEABHN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019345911 570978267 /nfs/dbraw/zinc/97/82/67/570978267.db2.gz WZAJYWJTDNOYMH-ORAYPTAESA-N 0 3 398.894 2.485 40 0 GEABHN CC(C)N1CCN(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000019362057 570979732 /nfs/dbraw/zinc/97/97/32/570979732.db2.gz QGCITJMHXXXYHR-UHFFFAOYSA-N 0 3 382.504 2.492 40 0 GEABHN CN(C)C[C@H]1[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366213 570980093 /nfs/dbraw/zinc/98/00/93/570980093.db2.gz FFPATKGBQDEKQE-FCHUYYIVSA-N 0 3 394.515 2.490 40 0 GEABHN COc1cc2c(cc1CN1CC[C@H](c3nnc(-c4cnccn4)o3)C1)OCCO2 ZINC000019550544 571000826 /nfs/dbraw/zinc/00/08/26/571000826.db2.gz NYRMIQMUNMSMQL-ZDUSSCGKSA-N 0 3 395.419 2.296 40 0 GEABHN COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 ZINC000019554508 571002524 /nfs/dbraw/zinc/00/25/24/571002524.db2.gz WNKLXBUEDRNMBJ-UHFFFAOYSA-N 0 3 380.492 2.470 40 0 GEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1 ZINC000019572737 571010751 /nfs/dbraw/zinc/01/07/51/571010751.db2.gz UPFIMGQOPHDEFV-MRXNPFEDSA-N 0 3 382.512 2.293 40 0 GEABHN Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019574085 571011176 /nfs/dbraw/zinc/01/11/76/571011176.db2.gz YBKKCUUTLFBLQM-IBGZPJMESA-N 0 3 382.512 2.422 40 0 GEABHN Cc1onc(-c2cccnc2)c1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019579706 571012793 /nfs/dbraw/zinc/01/27/93/571012793.db2.gz JZUMZJSCCLALAT-QGZVFWFLSA-N 0 3 390.447 2.458 40 0 GEABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H]2OCCc4ccccc42)C3)CC1 ZINC000019588248 571015761 /nfs/dbraw/zinc/01/57/61/571015761.db2.gz KGZDTFCJBDDGPH-OAQYLSRUSA-N 0 3 392.503 2.485 40 0 GEABHN Cc1nccn1C[C@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019658065 571024534 /nfs/dbraw/zinc/02/45/34/571024534.db2.gz WLOSGNSKHCDRRC-IBGZPJMESA-N 0 3 399.514 2.391 40 0 GEABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)c3ccccn3)CC2)cc(C)n1 ZINC000019698288 571031093 /nfs/dbraw/zinc/03/10/93/571031093.db2.gz GFCZEDLUFXDFNL-NRFANRHFSA-N 0 3 393.491 2.431 40 0 GEABHN COc1ccc(CCC(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709474 571034120 /nfs/dbraw/zinc/03/41/20/571034120.db2.gz KBYBZNOAIPYALF-GOSISDBHSA-N 0 3 397.523 2.113 40 0 GEABHN CC1CCN(Cc2cccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)c2)CC1 ZINC000019716133 571037715 /nfs/dbraw/zinc/03/77/15/571037715.db2.gz RRVRYKDVADVYNI-UHFFFAOYSA-N 0 3 394.479 2.001 40 0 GEABHN