smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H](N)C(=O)N[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000001689686 204017187 /nfs/dbraw/zinc/01/71/87/204017187.db2.gz OJKHWKUUKANMMH-KGLIPLIRSA-N 0 3 370.475 0.397 40 0 FCABHN COC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000020529202 206338160 /nfs/dbraw/zinc/33/81/60/206338160.db2.gz ZMYPDQZMECCPSS-KRWDZBQOSA-N 0 3 374.441 0.724 40 0 FCABHN Cn1cc(CN[C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)cn1 ZINC000077262027 132179387 /nfs/dbraw/zinc/17/93/87/132179387.db2.gz UKENDCQARCDIPV-PSBWJHGTSA-N 0 3 373.457 0.019 40 0 biogenic,in-vitro FCABHN CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C)CC2)cc(C)n1 ZINC000019698292 487605185 /nfs/dbraw/zinc/60/51/85/487605185.db2.gz YEPIYWOBIUBFBJ-GOSISDBHSA-N 0 3 359.474 0.941 40 0 FCABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019760799 487606975 /nfs/dbraw/zinc/60/69/75/487606975.db2.gz LWQQVBGQQGQFSA-CQSZACIVSA-N 0 3 368.507 0.740 40 0 FCABHN CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022822236 487624472 /nfs/dbraw/zinc/62/44/72/487624472.db2.gz WCJMPVIDMAONHY-UHFFFAOYSA-N 0 3 368.503 0.816 40 0 FCABHN O=C(c1ccc(Cl)cc1)N(CCO)CCN[C@@H]1CCS(=O)(=O)C1 ZINC000217372747 488442304 /nfs/dbraw/zinc/44/23/04/488442304.db2.gz QRNYTAJUYNAMLH-CQSZACIVSA-N 0 3 360.863 0.551 40 0 FCABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096039757 488488733 /nfs/dbraw/zinc/48/87/33/488488733.db2.gz RARLMBGTZCGAGK-FUHWJXTLSA-N 0 3 350.463 0.896 40 0 FCABHN CCc1[nH]nc(C(=O)N2CCC[C@](O)(CN3CCN(C)CC3)CC2)c1C ZINC000257277019 488524895 /nfs/dbraw/zinc/52/48/95/488524895.db2.gz NWCYXABPJMEWEQ-LJQANCHMSA-N 0 3 363.506 0.885 40 0 FCABHN COc1ccc(CC(=O)N2CCN(C)C[C@](O)(Cn3ccnc3C)C2)cc1 ZINC000257343235 488526291 /nfs/dbraw/zinc/52/62/91/488526291.db2.gz ZSBAICIMPMRVRY-FQEVSTJZSA-N 0 3 372.469 0.948 40 0 FCABHN CN(C)CCN1C[C@@H]2CN(C(=O)c3cn(C)nc3C(F)F)C[C@@H]2C1=O ZINC000585107406 491719730 /nfs/dbraw/zinc/71/97/30/491719730.db2.gz ZZNPKBSISKSXPI-MNOVXSKESA-N 0 3 355.389 0.450 40 0 FCABHN OCCCOc1ccc(CN2CC[C@@](O)(CN3CCOCC3)C2)cc1 ZINC000585269905 491720797 /nfs/dbraw/zinc/72/07/97/491720797.db2.gz POODPDITBOSCTL-LJQANCHMSA-N 0 3 350.459 0.717 40 0 FCABHN O[C@H]1CCN(CC2(O)CCOCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585282381 491720978 /nfs/dbraw/zinc/72/09/78/491720978.db2.gz IPAJYFLLYFHLSH-WMZOPIPTSA-N 0 3 373.396 0.683 40 0 FCABHN Cc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1 ZINC000585284653 491721191 /nfs/dbraw/zinc/72/11/91/491721191.db2.gz UMGFQESDYXIZIR-ROUUACIJSA-N 0 3 359.470 0.868 40 0 FCABHN CN1C(=O)CO[C@H]2CN(CC3(O)CCN(c4ccccc4F)CC3)C[C@@H]21 ZINC000585282564 491721393 /nfs/dbraw/zinc/72/13/93/491721393.db2.gz GZSUMEAHCNIOCF-IRXDYDNUSA-N 0 3 363.433 0.698 40 0 FCABHN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)c1ccc(F)c(Cl)c1 ZINC000020465010 526629940 /nfs/dbraw/zinc/62/99/40/526629940.db2.gz VVYZTEQCBDCHPW-FXUDXRNXSA-N 0 3 372.824 0.794 40 0 biogenic,in-vitro FCABHN CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cnco2)CC1 ZINC001772595214 1180025849 /nfs/dbraw/zinc/02/58/49/1180025849.db2.gz COSHTKHDUNBNQV-OAHLLOKOSA-N 0 3 373.457 0.475 40 0 FCABHN O=C([C@@H]1CC2CCN1CC2)N1CCN(C(=O)[C@@H]2CC3CCN2CC3)CC1 ZINC000001610888 204013603 /nfs/dbraw/zinc/01/36/03/204013603.db2.gz LMFLIIISBCCELP-ROUUACIJSA-N 0 3 360.502 0.626 40 0 FCABHN CC(C)[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000049604876 205174763 /nfs/dbraw/zinc/17/47/63/205174763.db2.gz SOODLZHDDSGRKL-MIMASFHYSA-N 0 3 353.415 0.244 40 0 FCABHN COCC(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952850 205929154 /nfs/dbraw/zinc/92/91/54/205929154.db2.gz CHUKXAXKJDZGJP-FQEVSTJZSA-N 0 3 372.469 0.659 40 0 FCABHN COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCCC2)cc1 ZINC000020465695 206331328 /nfs/dbraw/zinc/33/13/28/206331328.db2.gz FEOOPFYVELBXNQ-VSZNYVQBSA-N 0 3 364.442 0.400 40 0 biogenic,in-vitro FCABHN CCN(CC)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514289708 263776182 /nfs/dbraw/zinc/77/61/82/263776182.db2.gz YYVLHNCEVBMURF-YESZJQIVSA-N 0 3 356.488 0.650 40 0 biogenic,in-vitro FCABHN Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](CN3CCCC3)C2)c1 ZINC000306131826 488894617 /nfs/dbraw/zinc/89/46/17/488894617.db2.gz KQJZYQIXUJYREN-AWEZNQCLSA-N 0 3 350.448 0.458 40 0 FCABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 ZINC000306143237 488895351 /nfs/dbraw/zinc/89/53/51/488895351.db2.gz XWXMTMCIBLIUMU-UONOGXRCSA-N 0 3 355.446 0.691 40 0 FCABHN COc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl ZINC000013672452 487566611 /nfs/dbraw/zinc/56/66/11/487566611.db2.gz QIRFXXQTSGIWBF-UHFFFAOYSA-N 0 3 363.867 0.792 40 0 FCABHN CC(=O)NCC(=O)N1CCC[C@H]1c1cc(N2CCN(C)CC2)cc(C)n1 ZINC000019698291 487605166 /nfs/dbraw/zinc/60/51/66/487605166.db2.gz YEPIYWOBIUBFBJ-SFHVURJKSA-N 0 3 359.474 0.941 40 0 FCABHN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(CNC)cc(NC)n1 ZINC000019759684 487606531 /nfs/dbraw/zinc/60/65/31/487606531.db2.gz XWAGXOPSGUIGEP-ZDUSSCGKSA-N 0 3 356.496 0.961 40 0 FCABHN CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@@H]2CCCN2)n1 ZINC000019760718 487607123 /nfs/dbraw/zinc/60/71/23/487607123.db2.gz CHWZJWTVWJJBQK-ZDUSSCGKSA-N 0 3 356.496 0.961 40 0 FCABHN CC(=O)[C@]1(O)C=C[C@H]2[C@H]3CC4=CC[C@@](O)(C(C)=O)C5=C4[C@@]2(CCN3C)[C@H]1O5 ZINC000095932122 488487405 /nfs/dbraw/zinc/48/74/05/488487405.db2.gz SFFRCZUXEZQRMF-GOLUYEDUSA-N 0 3 371.433 0.890 40 0 FCABHN COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)Cn3ccnc3)C2)cc1 ZINC000257255412 488523850 /nfs/dbraw/zinc/52/38/50/488523850.db2.gz KHIZHCGTXUWFNQ-LJQANCHMSA-N 0 3 358.442 0.987 40 0 FCABHN Cc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)[nH]c(=O)n1 ZINC000257250037 488523878 /nfs/dbraw/zinc/52/38/78/488523878.db2.gz JKSOQNVFPILXBG-OAHLLOKOSA-N 0 3 356.373 0.799 40 0 FCABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)Cn3ccnc3)C2)cc1 ZINC000257255411 488524343 /nfs/dbraw/zinc/52/43/43/488524343.db2.gz KHIZHCGTXUWFNQ-IBGZPJMESA-N 0 3 358.442 0.987 40 0 FCABHN Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O ZINC000257283997 488524745 /nfs/dbraw/zinc/52/47/45/488524745.db2.gz PAUSNMKUTLHFKL-IIAWOOMASA-N 0 3 356.492 0.727 40 0 FCABHN CC(=O)NCc1cnc(CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000257305644 488525231 /nfs/dbraw/zinc/52/52/31/488525231.db2.gz SQWLJLOBLSEHAJ-SFHVURJKSA-N 0 3 359.474 0.988 40 0 FCABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cncs3)C2)CC1 ZINC000257304843 488525317 /nfs/dbraw/zinc/52/53/17/488525317.db2.gz SNJONHDTGCNRPB-INIZCTEOSA-N 0 3 352.460 0.321 40 0 FCABHN Cc1nc(CC(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cs1 ZINC000257316874 488526033 /nfs/dbraw/zinc/52/60/33/488526033.db2.gz VHJDKWKZRWSTIE-HOTGVXAUSA-N 0 3 352.504 0.593 40 0 FCABHN CN1CCN([C@H]2CN(Cc3cccc(CN4CCOCC4)c3)C[C@@H]2O)CC1 ZINC000585273848 491720709 /nfs/dbraw/zinc/72/07/09/491720709.db2.gz SFGSHYPOQVHNOZ-SFTDATJTSA-N 0 3 374.529 0.311 40 0 FCABHN CCN(C(=O)c1ccc(OCCN(C)C)cc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585286971 491721299 /nfs/dbraw/zinc/72/12/99/491721299.db2.gz PNNAFDPZTLOBTN-ZACQAIPSSA-N 0 3 352.431 0.210 40 0 FCABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298382 665297287 /nfs/dbraw/zinc/29/72/87/665297287.db2.gz SFPGEGRAOLONHQ-YUTCNCBUSA-N 0 3 362.459 0.619 40 0 biogenic,in-vitro FCABHN COCCNC(=O)C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O ZINC000015675194 206316250 /nfs/dbraw/zinc/31/62/50/206316250.db2.gz HNHRULKOIUXDIR-HDEZJCGLSA-N 0 3 372.849 0.072 40 0 biogenic,in-vitro FCABHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257318645 206624016 /nfs/dbraw/zinc/62/40/16/206624016.db2.gz VOWGFTOSFOQODH-GDBMZVCRSA-N 0 3 359.417 0.692 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]21 ZINC000306131751 488894409 /nfs/dbraw/zinc/89/44/09/488894409.db2.gz KOSSYKBARAHEOB-JKSUJKDBSA-N 0 3 353.426 0.829 40 0 FCABHN Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cn1 ZINC000306142425 488894541 /nfs/dbraw/zinc/89/45/41/488894541.db2.gz WZEKLWVTUAKFEG-KGLIPLIRSA-N 0 3 355.446 0.598 40 0 FCABHN O=C(NC[C@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1ccnnc1 ZINC000306136911 488894646 /nfs/dbraw/zinc/89/46/46/488894646.db2.gz QGKXENNGVMSFLW-MRXNPFEDSA-N 0 3 370.457 0.962 40 0 FCABHN COc1ccccc1C1(O)CCN(Cc2c(C)n(C)c(=O)n(C)c2=O)CC1 ZINC000012292873 487550995 /nfs/dbraw/zinc/55/09/95/487550995.db2.gz NIMBVCAYOWZTDJ-UHFFFAOYSA-N 0 3 373.453 0.885 40 0 FCABHN CN(C)CCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000013675863 487566375 /nfs/dbraw/zinc/56/63/75/487566375.db2.gz BSXNHYIIVUSUDQ-UHFFFAOYSA-N 0 3 371.459 0.639 40 0 FCABHN CCN1CCN(C2CCN(C(=O)c3cc(OC)nc(OC)n3)CC2)CC1 ZINC000019528136 487603998 /nfs/dbraw/zinc/60/39/98/487603998.db2.gz DFFAMWYUPSHWDP-UHFFFAOYSA-N 0 3 363.462 0.736 40 0 FCABHN CN1CCc2nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 ZINC000019590487 487605481 /nfs/dbraw/zinc/60/54/81/487605481.db2.gz ZFUBYUBWWLEOPC-AWEZNQCLSA-N 0 3 365.503 0.985 40 0 FCABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CN1CC(=O)NC1=O ZINC000019589224 487605718 /nfs/dbraw/zinc/60/57/18/487605718.db2.gz DFUPKXMHMYUSIC-IIDMSEBBSA-N 0 3 374.416 0.766 40 0 FCABHN CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(CNC)cc(N(C)C)n1 ZINC000019760814 487606742 /nfs/dbraw/zinc/60/67/42/487606742.db2.gz SSONAGPXWAFUFF-CQSZACIVSA-N 0 3 370.523 0.986 40 0 FCABHN CN(C)Cc1ccccc1CNC(=O)c1cccn(CC(=O)N(C)C)c1=O ZINC000019750011 487606866 /nfs/dbraw/zinc/60/68/66/487606866.db2.gz LSAHQZDNCRJIIZ-UHFFFAOYSA-N 0 3 370.453 0.928 40 0 FCABHN COc1ccc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000224006492 488449526 /nfs/dbraw/zinc/44/95/26/488449526.db2.gz UZCMKTZDXARUTL-UHFFFAOYSA-N 0 3 357.476 0.919 40 0 FCABHN COc1cccc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)c1 ZINC000224614555 488449584 /nfs/dbraw/zinc/44/95/84/488449584.db2.gz QGNJCYUAOKKCRH-UHFFFAOYSA-N 0 3 357.476 0.919 40 0 FCABHN CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NCCN(C)C ZINC000096113103 488489017 /nfs/dbraw/zinc/48/90/17/488489017.db2.gz YSCHBPATGWGKCS-DOTOQJQBSA-N 0 3 362.474 0.625 40 0 biogenic,in-vitro FCABHN O=C(c1cnccn1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059586 488489061 /nfs/dbraw/zinc/48/90/61/488489061.db2.gz NWGCULHUYAMGQB-UHFFFAOYSA-N 0 3 354.414 0.675 40 0 FCABHN O=C(C1CCOCC1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059594 488489110 /nfs/dbraw/zinc/48/91/10/488489110.db2.gz KWBPWFYSWJKKNP-UHFFFAOYSA-N 0 3 360.458 0.998 40 0 FCABHN O=C(c1ccnnc1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096197569 488490562 /nfs/dbraw/zinc/49/05/62/488490562.db2.gz XCOPJLUSLXJFAF-UHFFFAOYSA-N 0 3 354.414 0.675 40 0 FCABHN Cn1cnc(C(=O)N2CCC[C@]3(C[C@H](CN4CCN(C)CC4)CO3)C2)c1 ZINC000096228472 488491188 /nfs/dbraw/zinc/49/11/88/488491188.db2.gz BFWFHSQQVHOJFL-APWZRJJASA-N 0 3 361.490 0.679 40 0 FCABHN COCC(=O)N1CC2(C[C@@]1(C)CO)CCN(Cc1cnn(C)c1)CC2 ZINC000257308715 488526110 /nfs/dbraw/zinc/52/61/10/488526110.db2.gz TXVNJQJWEXADGT-KRWDZBQOSA-N 0 3 350.463 0.632 40 0 FCABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000257343109 488526598 /nfs/dbraw/zinc/52/65/98/488526598.db2.gz ZRMWXSYRYKCYCN-HXUWFJFHSA-N 0 3 361.486 0.926 40 0 FCABHN CN1CC[C@@H](NC(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175195021 488853269 /nfs/dbraw/zinc/85/32/69/488853269.db2.gz BURXIOYPPHCHQV-MSOLQXFVSA-N 0 3 374.485 0.962 40 0 FCABHN CN1CC[C@H](NC(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175195002 488853298 /nfs/dbraw/zinc/85/32/98/488853298.db2.gz BURXIOYPPHCHQV-ROUUACIJSA-N 0 3 374.485 0.962 40 0 FCABHN C[C@@]1(N(CCN)S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000575424347 491553870 /nfs/dbraw/zinc/55/38/70/491553870.db2.gz KAUKNZBKOAJNEQ-CYBMUJFWSA-N 0 3 366.892 0.867 40 0 FCABHN Cc1cc(C)c(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575424606 491553902 /nfs/dbraw/zinc/55/39/02/491553902.db2.gz UINAZLLLKFFATM-CQSZACIVSA-N 0 3 360.501 0.748 40 0 FCABHN Cn1cnc(C(=O)N2CCC[C@@]3(CCN(CC4CCN(C)CC4)C3=O)C2)n1 ZINC000585100985 491719423 /nfs/dbraw/zinc/71/94/23/491719423.db2.gz QPWFHHIEBOKJCQ-LJQANCHMSA-N 0 3 374.489 0.612 40 0 FCABHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000585101047 491719643 /nfs/dbraw/zinc/71/96/43/491719643.db2.gz ZHTIKMIROQAGJG-LJQANCHMSA-N 0 3 360.458 0.251 40 0 FCABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccnc2)C1 ZINC000585291530 491721669 /nfs/dbraw/zinc/72/16/69/491721669.db2.gz RIARWSBTAQMNEA-QUCCMNQESA-N 0 3 355.438 0.738 40 0 FCABHN CN(CC1CCN(Cc2ccc(F)cn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290460 491721839 /nfs/dbraw/zinc/72/18/39/491721839.db2.gz DOBNEMXRZSOMGN-KURKYZTESA-N 0 3 353.438 0.485 40 0 FCABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 ZINC000008254260 291029697 /nfs/dbraw/zinc/02/96/97/291029697.db2.gz ZALBZSCNOVBKDU-JQHSSLGASA-N 0 3 370.457 0.846 40 0 biogenic,in-vitro FCABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000003838653 291029715 /nfs/dbraw/zinc/02/97/15/291029715.db2.gz RFWDZGQDCGMZRD-XHSDSOJGSA-N 0 3 370.457 0.813 40 0 biogenic,in-vitro FCABHN C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000005080893 204190572 /nfs/dbraw/zinc/19/05/72/204190572.db2.gz YEXVXKIMPBHRQR-RPFXJPNESA-N 0 3 353.415 0.244 40 0 FCABHN Cc1nc(N)[n-]c(=O)c1CCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000005891103 204229434 /nfs/dbraw/zinc/22/94/34/204229434.db2.gz BJITWDCIAXNTIR-UHFFFAOYSA-N 0 3 351.432 0.030 40 0 FCABHN COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(C)(=O)=O ZINC000013613544 204540240 /nfs/dbraw/zinc/54/02/40/204540240.db2.gz OKAKBXDXSXUHMC-UHFFFAOYSA-N 0 3 363.867 0.792 40 0 FCABHN CN(C)S(=O)(=O)N(CC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000113936582 206093351 /nfs/dbraw/zinc/09/33/51/206093351.db2.gz GJMQAISQBVOKFI-UHFFFAOYSA-N 0 3 354.476 0.510 40 0 FCABHN Cn1cc(CN2CCc3nc4n(c(=O)c3C2)CCN(CC2CC2)CC4)cn1 ZINC000306128213 488893409 /nfs/dbraw/zinc/89/34/09/488893409.db2.gz GULIOELPSJOXNW-UHFFFAOYSA-N 0 3 368.485 0.803 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3ccccn3)C[C@H]21 ZINC000306139411 488894112 /nfs/dbraw/zinc/89/41/12/488894112.db2.gz SWOHFBWQSCKRHO-ZBFHGGJFSA-N 0 3 353.426 0.829 40 0 FCABHN Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)c1 ZINC000306143447 488895267 /nfs/dbraw/zinc/89/52/67/488895267.db2.gz YCOVHXXXSVMSJM-IBGZPJMESA-N 0 3 356.426 0.734 40 0 FCABHN C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 ZINC000019078513 487602612 /nfs/dbraw/zinc/60/26/12/487602612.db2.gz UXZKSTJTCSOYCN-GJZGRUSLSA-N 0 3 359.474 0.549 40 0 FCABHN C[C@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCCC1=O ZINC000019078099 487602694 /nfs/dbraw/zinc/60/26/94/487602694.db2.gz COXCHCXFULHFCE-CYBMUJFWSA-N 0 3 357.458 0.839 40 0 FCABHN Cc1ccc2c(c1)N(CC(=O)NCCCN1CCN(C)CC1)C(=O)CO2 ZINC000022938925 487627173 /nfs/dbraw/zinc/62/71/73/487627173.db2.gz ARKHJGMDNYOGGO-UHFFFAOYSA-N 0 3 360.458 0.474 40 0 FCABHN Cc1ccccc1Cn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000062720581 488301126 /nfs/dbraw/zinc/30/11/26/488301126.db2.gz OTMBEZWICHFXHF-UHFFFAOYSA-N 0 3 368.441 0.200 40 0 FCABHN CC(C)N1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1 ZINC000072210673 488379411 /nfs/dbraw/zinc/37/94/11/488379411.db2.gz USVMGHMFHLJBCJ-UHFFFAOYSA-N 0 3 353.492 0.206 40 0 FCABHN CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2cnn(C)c2C)c1 ZINC000257213274 488523657 /nfs/dbraw/zinc/52/36/57/488523657.db2.gz CGVVFPRZVBQSEQ-QGZVFWFLSA-N 0 3 370.457 0.673 40 0 FCABHN CC(=O)N1CCC(N2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000257277362 488524898 /nfs/dbraw/zinc/52/48/98/488524898.db2.gz NXRQOVKQLHGXSY-IRXDYDNUSA-N 0 3 351.447 0.088 40 0 FCABHN C[NH+](C)C[C@]1(O)CCCN(C(=O)CCNC(=O)c2cncc([O-])c2)CC1 ZINC000257306578 488525459 /nfs/dbraw/zinc/52/54/59/488525459.db2.gz SUXFWFPFRXEVIP-SFHVURJKSA-N 0 3 364.446 0.212 40 0 FCABHN CN1CCN(C[C@]2(O)CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000257343108 488526614 /nfs/dbraw/zinc/52/66/14/488526614.db2.gz ZRMWXSYRYKCYCN-FQEVSTJZSA-N 0 3 361.486 0.926 40 0 FCABHN COCCNC(=O)N[C@H]1CO[C@@H](CN(C)CCc2ccccc2)[C@@H]1O ZINC000514289039 490768708 /nfs/dbraw/zinc/76/87/08/490768708.db2.gz OPEUZBUKPAGART-YESZJQIVSA-N 0 3 351.447 0.235 40 0 biogenic,in-vitro FCABHN O=C1N[C@@H]2CN[C@@H](C2)C(=O)NC[C@@H]2CCC[C@@H](CCOc3ccccc31)O2 ZINC000514287469 490768760 /nfs/dbraw/zinc/76/87/60/490768760.db2.gz DUDFKIKTZJBMGR-JKQORVJESA-N 0 3 373.453 0.983 40 0 FCABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccnc(F)c1)CCC2 ZINC000585110543 491720241 /nfs/dbraw/zinc/72/02/41/491720241.db2.gz UHHOLKMCZXQXBK-UHFFFAOYSA-N 0 3 362.409 0.937 40 0 FCABHN CC(C)N(CCO)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O ZINC000585283648 491721459 /nfs/dbraw/zinc/72/14/59/491721459.db2.gz GIKHZCPKFAKPAC-PKOBYXMFSA-N 0 3 350.459 0.256 40 0 FCABHN CN1CCCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585284390 491721479 /nfs/dbraw/zinc/72/14/79/491721479.db2.gz KRLUCUXAJVOWCL-AZUAARDMSA-N 0 3 361.486 0.191 40 0 FCABHN CC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1CN(C)CCN12 ZINC001772595418 1180032381 /nfs/dbraw/zinc/03/23/81/1180032381.db2.gz UTAULTQKOZFBOP-GOSISDBHSA-N 0 3 356.470 0.983 40 0 FCABHN COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C)N2C)cc1 ZINC000035442421 204279492 /nfs/dbraw/zinc/27/94/92/204279492.db2.gz FSUAJYDIWQXNGZ-WDYCEAGBSA-N 0 3 374.485 0.595 40 0 biogenic,in-vitro FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc(C)c1 ZINC000054112907 205197396 /nfs/dbraw/zinc/19/73/96/205197396.db2.gz SKRXTHMILLGYIN-HZPDHXFCSA-N 0 3 358.442 0.949 40 0 FCABHN COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000022587428 206380188 /nfs/dbraw/zinc/38/01/88/206380188.db2.gz WLZVVVYNUWCIER-QGZVFWFLSA-N 0 3 374.441 0.724 40 0 FCABHN CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)CN2CCCC2)CC1 ZINC000257207409 206597965 /nfs/dbraw/zinc/59/79/65/206597965.db2.gz BHPYRIKGGXZMJR-UHFFFAOYSA-N 0 3 370.457 0.891 40 0 FCABHN Cn1cc(CN2CC[C@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 ZINC000306125715 488893570 /nfs/dbraw/zinc/89/35/70/488893570.db2.gz CZJOFBKTEPHQPQ-SFHVURJKSA-N 0 3 366.429 0.320 40 0 FCABHN CN1CCC(NC2(Cc3cc(CN4CCOCC4)on3)COC2)CC1 ZINC000067898405 488357820 /nfs/dbraw/zinc/35/78/20/488357820.db2.gz MPHWRQYIKDFQJU-UHFFFAOYSA-N 0 3 350.463 0.502 40 0 biogenic,in-vitro FCABHN CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cnccn1)CCC2 ZINC000096197560 488490251 /nfs/dbraw/zinc/49/02/51/488490251.db2.gz VYZZXGKQJFCNCY-UHFFFAOYSA-N 0 3 356.430 0.920 40 0 FCABHN CN(C)CCNC(=O)[C@H]1C[C@@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 ZINC000096262889 488490804 /nfs/dbraw/zinc/49/08/04/488490804.db2.gz XMZUCVLCUGVFBG-APWZRJJASA-N 0 3 360.458 0.893 40 0 FCABHN CN(C)Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)cc1 ZINC000257208288 488523466 /nfs/dbraw/zinc/52/34/66/488523466.db2.gz BLMYMLCEVVCWKE-LJQANCHMSA-N 0 3 355.442 0.909 40 0 FCABHN CCn1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c1C ZINC000257231080 488523526 /nfs/dbraw/zinc/52/35/26/488523526.db2.gz GFDHRMIPXBDIQV-IIAWOOMASA-N 0 3 356.492 0.868 40 0 FCABHN NCC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257323718 488525881 /nfs/dbraw/zinc/52/58/81/488525881.db2.gz WLOTXUUYYIPMCV-CMKODMSKSA-N 0 3 361.486 0.635 40 0 FCABHN O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCOCC4)C3)N2C1 ZINC000514290123 490768462 /nfs/dbraw/zinc/76/84/62/490768462.db2.gz UAHJNZLUOTXNJN-RBUKOAKNSA-N 0 3 358.486 0.566 40 0 biogenic,in-vitro FCABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514288805 490768768 /nfs/dbraw/zinc/76/87/68/490768768.db2.gz DKYHBTFIOFFNHR-OKZBNKHCSA-N 0 3 363.458 0.331 40 0 biogenic,in-vitro FCABHN CC(=O)N1CCN(C[C@@H]2OC[C@H](NC3Cc4ccccc4C3)[C@H]2O)CC1 ZINC000514288399 490768952 /nfs/dbraw/zinc/76/89/52/490768952.db2.gz CNLCTBKUYCHGRV-SLFFLAALSA-N 0 3 359.470 0.036 40 0 biogenic,in-vitro FCABHN CC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(OCCN(C)C)cc2)C[C@H]1O ZINC000585274675 491720679 /nfs/dbraw/zinc/72/06/79/491720679.db2.gz ZHPWOHXZEQQWTP-BHIYHBOVSA-N 0 3 365.474 0.059 40 0 FCABHN N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585286277 491721265 /nfs/dbraw/zinc/72/12/65/491721265.db2.gz WEUBXQNZGGOIHI-JENIJYKNSA-N 0 3 369.421 0.635 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801533 521092857 /nfs/dbraw/zinc/09/28/57/521092857.db2.gz DYUHJOYMCBUMHL-HOTGVXAUSA-N 0 3 372.425 0.475 40 0 FCABHN CN(C)CCN1CC[C@@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O ZINC000585093491 546523984 /nfs/dbraw/zinc/52/39/84/546523984.db2.gz ZQRKUCXTPNXNPO-SEEARECTSA-N 0 3 359.417 0.405 40 0 FCABHN COc1cc(CNCCNC(=O)c2nonc2N)cc(OC)c1OC ZINC000008469953 204332049 /nfs/dbraw/zinc/33/20/49/204332049.db2.gz WNHMZHCDYCXXTQ-UHFFFAOYSA-N 0 3 351.363 0.197 40 0 FCABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1O ZINC000012483634 206292238 /nfs/dbraw/zinc/29/22/38/206292238.db2.gz OBXINIZUQJRJAV-HSFUPAIVSA-N 0 3 350.415 0.700 40 0 biogenic,in-vitro FCABHN Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCCN4CCCC4)O[C@H]3C2)nn1 ZINC000096043214 132217190 /nfs/dbraw/zinc/21/71/90/132217190.db2.gz MYQIEMFUZNKZQH-BBWFWOEESA-N 0 3 359.474 0.981 40 0 FCABHN C[C@@H](C(=O)NCCN(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010111682 487531711 /nfs/dbraw/zinc/53/17/11/487531711.db2.gz IKPIFHXQQJYJLH-LBPRGKRZSA-N 0 3 371.459 0.290 40 0 FCABHN CN(C)CCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000012085662 487548134 /nfs/dbraw/zinc/54/81/34/487548134.db2.gz XOQOFJCPQDUGJH-LJQANCHMSA-N 0 3 374.441 0.195 40 0 FCABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000012360991 487552543 /nfs/dbraw/zinc/55/25/43/487552543.db2.gz QUCNBXQNAPTLIX-UHFFFAOYSA-N 0 3 374.441 0.513 40 0 FCABHN CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760278 487606580 /nfs/dbraw/zinc/60/65/80/487606580.db2.gz UEUZCEZWWHFGJM-AWEZNQCLSA-N 0 3 370.523 0.986 40 0 FCABHN CN1CCC(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000222750941 488447397 /nfs/dbraw/zinc/44/73/97/488447397.db2.gz PKXOZPLSXFMYRY-MRXNPFEDSA-N 0 3 367.471 0.814 40 0 FCABHN CN(C)C(=O)COC[C@@H]1CC2(CO1)CCN(Cc1cnn(C)c1)CC2 ZINC000096209419 488490329 /nfs/dbraw/zinc/49/03/29/488490329.db2.gz NGPHAJYBMZMPLT-INIZCTEOSA-N 0 3 350.463 0.896 40 0 FCABHN CN(C)CCNC(=O)c1nc2c(n1C)CCN(C(=O)c1cccnc1)C2 ZINC000096264860 488490723 /nfs/dbraw/zinc/49/07/23/488490723.db2.gz IBGKQJMTHSYQGT-UHFFFAOYSA-N 0 3 356.430 0.305 40 0 FCABHN O=C1N(CCN2CCCC2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000096224253 488491137 /nfs/dbraw/zinc/49/11/37/488491137.db2.gz BMUHXAMEAQRZQN-KRWDZBQOSA-N 0 3 355.504 0.889 40 0 FCABHN CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn32)C1 ZINC000096267699 488491204 /nfs/dbraw/zinc/49/12/04/488491204.db2.gz ZAVJXUZODFRBSF-ZBFHGGJFSA-N 0 3 370.457 0.841 40 0 FCABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 ZINC000257239613 488524057 /nfs/dbraw/zinc/52/40/57/488524057.db2.gz HQCUFABODWPSIW-LJQANCHMSA-N 0 3 361.490 0.503 40 0 FCABHN CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)CC[C@@H]2O)CC1 ZINC000257238297 488524258 /nfs/dbraw/zinc/52/42/58/488524258.db2.gz HKIYPBPDGBBKPA-IRXDYDNUSA-N 0 3 357.458 0.776 40 0 FCABHN O=C(NC[C@]1(O)CCN(CCCc2ccccc2)C[C@H]1O)c1cnco1 ZINC000257250934 488524267 /nfs/dbraw/zinc/52/42/67/488524267.db2.gz JOQIXJJLFAOABU-IEBWSBKVSA-N 0 3 359.426 0.835 40 0 FCABHN NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575424943 491553796 /nfs/dbraw/zinc/55/37/96/491553796.db2.gz CRBZHUAPYVXQSH-CYBMUJFWSA-N 0 3 369.468 0.371 40 0 FCABHN O=C1C[C@H]2[C@H](CCN2C[C@@H](O)CO)N1Cc1ccc(OC(F)F)cc1 ZINC000585109172 491719909 /nfs/dbraw/zinc/71/99/09/491719909.db2.gz YRZINFCHGOHDES-SNPRPXQTSA-N 0 3 356.369 0.816 40 0 FCABHN CCOCCOc1ccc(CN2C[C@@H](N3CCN(C)CC3)[C@@H](O)C2)cc1 ZINC000585269630 491720560 /nfs/dbraw/zinc/72/05/60/491720560.db2.gz DMAIRSBFSQVHDV-UXHICEINSA-N 0 3 363.502 0.894 40 0 FCABHN CCOC(=O)N1CCC(O)(CN2C[C@H]3CCCN3C[C@H]2CCO)CC1 ZINC000585282209 491721151 /nfs/dbraw/zinc/72/11/51/491721151.db2.gz BQVTWOFMYINNMP-HZPDHXFCSA-N 0 3 355.479 0.501 40 0 FCABHN N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000001616447 204015105 /nfs/dbraw/zinc/01/51/05/204015105.db2.gz YWFZWSSERWXERI-ROUUACIJSA-N 0 3 354.454 0.359 40 0 FCABHN Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000108532573 206034745 /nfs/dbraw/zinc/03/47/45/206034745.db2.gz SUMPMHJMBFZESI-HNNXBMFYSA-N 0 3 356.492 0.791 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccccn3)C[C@@H]21 ZINC000306139409 488894440 /nfs/dbraw/zinc/89/44/40/488894440.db2.gz SWOHFBWQSCKRHO-GOEBONIOSA-N 0 3 353.426 0.829 40 0 FCABHN C[C@H](C(=O)NCCN(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010111683 487532223 /nfs/dbraw/zinc/53/22/23/487532223.db2.gz IKPIFHXQQJYJLH-GFCCVEGCSA-N 0 3 371.459 0.290 40 0 FCABHN CN1CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1O2 ZINC000019588385 487604872 /nfs/dbraw/zinc/60/48/72/487604872.db2.gz VLHYXIVGJNEMKJ-UHFFFAOYSA-N 0 3 373.453 0.844 40 0 FCABHN CN(C)CCn1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)c2cccnc21 ZINC000019583292 487605725 /nfs/dbraw/zinc/60/57/25/487605725.db2.gz WGNNKFPFCAYQCT-CYBMUJFWSA-N 0 3 366.491 0.589 40 0 FCABHN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(CNC)cc(N(C)C)n1 ZINC000019760816 487608495 /nfs/dbraw/zinc/60/84/95/487608495.db2.gz SSONAGPXWAFUFF-AWEZNQCLSA-N 0 3 370.523 0.986 40 0 FCABHN CN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2 ZINC000096110081 488488903 /nfs/dbraw/zinc/48/89/03/488488903.db2.gz KRTSYOFYMOKACS-VQIMIIECSA-N 0 3 355.442 0.922 40 0 FCABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1c(C)nn(C)c1C)CC[C@H]2OC ZINC000096108532 488489153 /nfs/dbraw/zinc/48/91/53/488489153.db2.gz YIEOPZBCKXHPOT-RRFJBIMHSA-N 0 3 356.492 0.767 40 0 FCABHN O=c1cc(CN2CCCC2)nc2n1CCCN(S(=O)(=O)C1CC1)C2 ZINC000096059592 488489225 /nfs/dbraw/zinc/48/92/25/488489225.db2.gz HOAMWJIWOAKDSO-UHFFFAOYSA-N 0 3 352.460 0.537 40 0 FCABHN COCCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(CCOC)CC2 ZINC000096199892 488490208 /nfs/dbraw/zinc/49/02/08/488490208.db2.gz WOEDKXJXJFUMCR-MRXNPFEDSA-N 0 3 350.463 0.863 40 0 FCABHN CN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 ZINC000096262886 488490783 /nfs/dbraw/zinc/49/07/83/488490783.db2.gz XMZUCVLCUGVFBG-QFBILLFUSA-N 0 3 360.458 0.893 40 0 FCABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228452 488491036 /nfs/dbraw/zinc/49/10/36/488491036.db2.gz POUIBKNFXSRTBP-QFBILLFUSA-N 0 3 359.474 0.735 40 0 FCABHN CN1CCN([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)CC[C@@H]2O)CC1 ZINC000257224426 488523669 /nfs/dbraw/zinc/52/36/69/488523669.db2.gz FBTUOWIHPSXRPG-ROUUACIJSA-N 0 3 357.458 0.776 40 0 FCABHN Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)N3CCOCC3)C2)n1 ZINC000257273899 488524924 /nfs/dbraw/zinc/52/49/24/488524924.db2.gz NIQPGBFFVHQINW-CQSZACIVSA-N 0 3 354.476 0.822 40 0 FCABHN CCCCN1CCC[C@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101226 491719615 /nfs/dbraw/zinc/71/96/15/491719615.db2.gz PEWOWFATQLNSEH-KRWDZBQOSA-N 0 3 351.451 0.539 40 0 FCABHN O=C1C[C@H]2[C@H](CCN2C[C@H](O)CO)N1Cc1ccc(OC(F)F)cc1 ZINC000585109168 491720000 /nfs/dbraw/zinc/72/00/00/491720000.db2.gz YRZINFCHGOHDES-QEJZJMRPSA-N 0 3 356.369 0.816 40 0 FCABHN O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298765 560208467 /nfs/dbraw/zinc/20/84/67/560208467.db2.gz OHKAYGACEBQSTH-QGTPRVQTSA-N 0 3 373.432 0.936 40 0 biogenic,in-vitro FCABHN Cn1ccnc1CN1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1CN(C)CCN12 ZINC001772595198 1180019955 /nfs/dbraw/zinc/01/99/55/1180019955.db2.gz BJKSGKKGXOOMGD-QGZVFWFLSA-N 0 3 372.517 0.580 40 0 FCABHN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 ZINC000008298074 291028182 /nfs/dbraw/zinc/02/81/82/291028182.db2.gz VSUUBFYYBPZOGC-ZNMIVQPWSA-N 0 3 363.462 0.075 40 0 biogenic,in-vitro FCABHN CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 ZINC000008254213 291029459 /nfs/dbraw/zinc/02/94/59/291029459.db2.gz VYJRVEQVSRAPBX-JQHSSLGASA-N 0 3 369.473 0.419 40 0 biogenic,in-vitro FCABHN Cn1cnc(C(=O)N2CCC[C@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)c1 ZINC000096228474 205859101 /nfs/dbraw/zinc/85/91/01/205859101.db2.gz BFWFHSQQVHOJFL-LPHOPBHVSA-N 0 3 361.490 0.679 40 0 FCABHN CC1CCN([C@H]2[C@@H](CNC(=O)c3cccc(F)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465992 206331457 /nfs/dbraw/zinc/33/14/57/206331457.db2.gz YTCKRZCJZAGSFT-VSZNYVQBSA-N 0 3 366.433 0.777 40 0 biogenic,in-vitro FCABHN CN(C)CCN(C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(F)cc2)[C@@H]1O ZINC000020463955 206332450 /nfs/dbraw/zinc/33/24/50/206332450.db2.gz JAABCQMKOYIOQH-HSFUPAIVSA-N 0 3 353.438 0.262 40 0 biogenic,in-vitro FCABHN Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CCN(C)CC4)O[C@H]3C2)nn1 ZINC000096041027 132217322 /nfs/dbraw/zinc/21/73/22/132217322.db2.gz ROEHKMDTYWDOBN-XIRDDKMYSA-N 0 3 359.474 0.979 40 0 FCABHN Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCN(C)CC4)O[C@H]3C2)nn1 ZINC000096066294 132218193 /nfs/dbraw/zinc/21/81/93/132218193.db2.gz ROEHKMDTYWDOBN-UAGQMJEPSA-N 0 3 359.474 0.979 40 0 FCABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408709709 230014171 /nfs/dbraw/zinc/01/41/71/230014171.db2.gz WGLWCRIQQGOXMW-UHFFFAOYSA-N 0 3 358.398 0.826 40 0 FCABHN CCS(=O)(=O)N(CC(=O)NCCN(C)C)c1ccc2c(c1)OCCO2 ZINC000013612478 487564697 /nfs/dbraw/zinc/56/46/97/487564697.db2.gz CKHKZTQAXRKWOK-UHFFFAOYSA-N 0 3 371.459 0.292 40 0 FCABHN CN(C)CCNC(=O)CN1CC[C@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000072325859 488379674 /nfs/dbraw/zinc/37/96/74/488379674.db2.gz BKKNNGBBLLIUOS-LJQANCHMSA-N 0 3 373.457 0.229 40 0 FCABHN CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096039756 488488737 /nfs/dbraw/zinc/48/87/37/488488737.db2.gz RARLMBGTZCGAGK-SJLPKXTDSA-N 0 3 350.463 0.896 40 0 FCABHN Cc1ccccc1CNC(=O)N1C[C@H]2C[C@@H](C(=O)NCCN(C)C)[C@@H](C1)O2 ZINC000096253154 488490982 /nfs/dbraw/zinc/49/09/82/488490982.db2.gz QEIODRNMIQFHME-KZNAEPCWSA-N 0 3 374.485 0.972 40 0 FCABHN Cn1cnc(C(=O)N2CCC[C@@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)c1 ZINC000096228475 488491117 /nfs/dbraw/zinc/49/11/17/488491117.db2.gz BFWFHSQQVHOJFL-QFBILLFUSA-N 0 3 361.490 0.679 40 0 FCABHN O=C(CCn1cnnn1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257232834 488524003 /nfs/dbraw/zinc/52/40/03/488524003.db2.gz GMPZZYQHXBPLHG-GOSISDBHSA-N 0 3 356.430 0.085 40 0 FCABHN CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)CC1 ZINC000257285977 488525483 /nfs/dbraw/zinc/52/54/83/488525483.db2.gz PJPQXOPPGRNTBL-FQEVSTJZSA-N 0 3 363.502 0.632 40 0 FCABHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257318648 488525747 /nfs/dbraw/zinc/52/57/47/488525747.db2.gz VOWGFTOSFOQODH-ZBFHGGJFSA-N 0 3 359.417 0.692 40 0 FCABHN CC(=O)NCC(=O)N1C[C@]2(NC(C)=O)CN(C)CC[C@@H]2[C@H]1c1ccccc1 ZINC000257330930 488525799 /nfs/dbraw/zinc/52/57/99/488525799.db2.gz XQQFQSCWZJHNCJ-MISYRCLQSA-N 0 3 372.469 0.533 40 0 FCABHN COc1ccc(CC(=O)N2CCN(C)C[C@@](O)(Cn3ccnc3C)C2)cc1 ZINC000257343236 488526397 /nfs/dbraw/zinc/52/63/97/488526397.db2.gz ZSBAICIMPMRVRY-HXUWFJFHSA-N 0 3 372.469 0.948 40 0 FCABHN C[C@]1(C(N)=O)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585282514 491721213 /nfs/dbraw/zinc/72/12/13/491721213.db2.gz FLPNREFOYBKAHL-QGZVFWFLSA-N 0 3 351.422 0.733 40 0 FCABHN CC(C)N(CCO)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585284967 491721243 /nfs/dbraw/zinc/72/12/43/491721243.db2.gz MJYHWEPHMDHIRQ-HKUYNNGSSA-N 0 3 350.459 0.256 40 0 FCABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCCc2ccccn2)[C@@H](O)C1 ZINC000585284567 491721453 /nfs/dbraw/zinc/72/14/53/491721453.db2.gz LVFRZXADEDLNKI-FPOVZHCZSA-N 0 3 369.465 0.781 40 0 FCABHN COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CN(C)C)[C@@H](O)[C@H]3O2)cc1 ZINC000604381815 492059683 /nfs/dbraw/zinc/05/96/83/492059683.db2.gz PSMANQLIUTXAJF-SGFSRKTBSA-N 0 3 364.442 0.549 40 0 biogenic,in-vitro FCABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008254276 291031699 /nfs/dbraw/zinc/03/16/99/291031699.db2.gz PIFXQERXDOOUPF-UAGQMJEPSA-N 0 3 356.430 0.192 40 0 biogenic,in-vitro FCABHN CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)C1 ZINC000096267700 209146824 /nfs/dbraw/zinc/14/68/24/209146824.db2.gz ZAVJXUZODFRBSF-GOEBONIOSA-N 0 3 370.457 0.841 40 0 FCABHN OCCN(CCO)C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689955 206660556 /nfs/dbraw/zinc/66/05/56/206660556.db2.gz MDEDMQVBEKRZOT-GSBYPIHSSA-N 0 3 357.491 0.636 40 0 FCABHN CC1CCN(CCNC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)CC1 ZINC000019496907 220262558 /nfs/dbraw/zinc/26/25/58/220262558.db2.gz JQWDFBJGWPBLFR-UHFFFAOYSA-N 0 3 358.442 0.548 40 0 FCABHN CN1CCN(CCN2CCCC2)C(=O)C12CCN(c1ncccn1)CC2 ZINC000096077172 132218284 /nfs/dbraw/zinc/21/82/84/132218284.db2.gz JANSBQLWDTZSQQ-UHFFFAOYSA-N 0 3 358.490 0.685 40 0 FCABHN CC(C)[C@@H](N)C(=O)N[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000001689688 487470045 /nfs/dbraw/zinc/47/00/45/487470045.db2.gz OJKHWKUUKANMMH-ZIAGYGMSSA-N 0 3 370.475 0.397 40 0 FCABHN O=C(NC[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1ccnnc1 ZINC000306136910 488894606 /nfs/dbraw/zinc/89/46/06/488894606.db2.gz QGKXENNGVMSFLW-INIZCTEOSA-N 0 3 370.457 0.962 40 0 FCABHN C[C@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 ZINC000019078506 487602742 /nfs/dbraw/zinc/60/27/42/487602742.db2.gz UXZKSTJTCSOYCN-HUUCEWRRSA-N 0 3 359.474 0.549 40 0 FCABHN OCCN(CCO)C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689958 487837441 /nfs/dbraw/zinc/83/74/41/487837441.db2.gz MDEDMQVBEKRZOT-NNGLDNROSA-N 0 3 357.491 0.636 40 0 FCABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC ZINC000242538942 488459601 /nfs/dbraw/zinc/45/96/01/488459601.db2.gz JIVZNEBULDJISC-SQWLQELKSA-N 0 3 355.412 0.824 40 0 FCABHN O=C(NC[C@]1(O)CN(CCCc2ccccc2)C[C@H]1O)c1cnccn1 ZINC000257206377 488523109 /nfs/dbraw/zinc/52/31/09/488523109.db2.gz BDCNWNFYSBKAPD-MJGOQNOKSA-N 0 3 356.426 0.247 40 0 FCABHN COCCN(C)C[C@@]1(O)[C@H](O)C[C@@H](N(C)C(=O)OC(C)(C)C)C[C@@H]1O ZINC000257212237 488523358 /nfs/dbraw/zinc/52/33/58/488523358.db2.gz CCLWHHCAVDUAGK-VWERNLLFSA-N 0 3 362.467 0.047 40 0 FCABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CNC(C)=O)CC1 ZINC000257314506 488525691 /nfs/dbraw/zinc/52/56/91/488525691.db2.gz UXGVFGQOFZXZQH-LJQANCHMSA-N 0 3 362.474 0.783 40 0 FCABHN CC1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccsc3)[C@H]2O)CC1 ZINC000514289624 490769147 /nfs/dbraw/zinc/76/91/47/490769147.db2.gz XBKGRVBYMLGGIT-SOUVJXGZSA-N 0 3 360.501 0.887 40 0 biogenic,in-vitro FCABHN COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@@H]1CCS(=O)(=O)C1 ZINC000575421002 491553542 /nfs/dbraw/zinc/55/35/42/491553542.db2.gz HIWMEIUIOAQQCO-GFCCVEGCSA-N 0 3 362.473 0.140 40 0 FCABHN CC(C)CCN1CCC[C@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101229 491719554 /nfs/dbraw/zinc/71/95/54/491719554.db2.gz PFWHZAQRTGYLMI-SFHVURJKSA-N 0 3 365.478 0.785 40 0 FCABHN Cc1ccccc1N1CCC(O)(CN2C[C@@H]3OCC(=O)N(C)[C@H]3C2)CC1 ZINC000585284013 491721359 /nfs/dbraw/zinc/72/13/59/491721359.db2.gz QOMXRMHJFWFOLS-ROUUACIJSA-N 0 3 359.470 0.868 40 0 FCABHN COCCc1nccc(C[C@H]2[C@H](NCc3cccnc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382095 492059678 /nfs/dbraw/zinc/05/96/78/492059678.db2.gz DELVIEMVSRKDHB-NCXUSEDFSA-N 0 3 372.469 0.751 40 0 biogenic,in-vitro FCABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)Cn3cccn3)C2)cc1 ZINC000257334028 210003040 /nfs/dbraw/zinc/00/30/40/210003040.db2.gz YEFKADFOQXRTNI-IBGZPJMESA-N 0 3 358.442 0.987 40 0 FCABHN CCn1ncc(S(=O)(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C ZINC000257327145 210001227 /nfs/dbraw/zinc/00/12/27/210001227.db2.gz XADRBDJDJPWNSG-IIAWOOMASA-N 0 3 356.492 0.820 40 0 FCABHN Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C[C@H]4CCOC4)C3)C2)cn1 ZINC000107788865 209280304 /nfs/dbraw/zinc/28/03/04/209280304.db2.gz ADCBHCQOIVUQIB-KDOFPFPSSA-N 0 3 359.430 0.659 40 0 FCABHN COCC(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952849 209200235 /nfs/dbraw/zinc/20/02/35/209200235.db2.gz CHUKXAXKJDZGJP-HXUWFJFHSA-N 0 3 372.469 0.659 40 0 FCABHN COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)ccc1O ZINC000012113452 207338692 /nfs/dbraw/zinc/33/86/92/207338692.db2.gz MJKXXIGEVLZTLP-QGZVFWFLSA-N 0 3 372.425 0.947 40 0 FCABHN Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CCN(C)CC4)O[C@@H]3C2)nn1 ZINC000096066210 132218082 /nfs/dbraw/zinc/21/80/82/132218082.db2.gz ROEHKMDTYWDOBN-BHYGNILZSA-N 0 3 359.474 0.979 40 0 FCABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1NS(C)(=O)=O ZINC000022822223 229149042 /nfs/dbraw/zinc/14/90/42/229149042.db2.gz HEQJKUZKEMMAIT-UHFFFAOYSA-N 0 3 368.503 0.734 40 0 FCABHN CC(C)NC(=O)C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O ZINC000008624286 487518810 /nfs/dbraw/zinc/51/88/10/487518810.db2.gz GMRYLIVRQXFKBL-HDEZJCGLSA-N 0 3 356.850 0.834 40 0 biogenic,in-vitro FCABHN CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306143236 488895563 /nfs/dbraw/zinc/89/55/63/488895563.db2.gz XWXMTMCIBLIUMU-KGLIPLIRSA-N 0 3 355.446 0.691 40 0 FCABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306143235 488895069 /nfs/dbraw/zinc/89/50/69/488895069.db2.gz XWXMTMCIBLIUMU-KBPBESRZSA-N 0 3 355.446 0.691 40 0 FCABHN CCn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@@H]3C2)cn1 ZINC000306143238 488895105 /nfs/dbraw/zinc/89/51/05/488895105.db2.gz XWXMTMCIBLIUMU-ZIAGYGMSSA-N 0 3 355.446 0.691 40 0 FCABHN Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)c1 ZINC000306143448 488895242 /nfs/dbraw/zinc/89/52/42/488895242.db2.gz YCOVHXXXSVMSJM-LJQANCHMSA-N 0 3 356.426 0.734 40 0 FCABHN COCCN1CC[C@@H](CNS(=O)(=O)c2cnn(C(F)F)c2C)C1 ZINC000019553104 487604262 /nfs/dbraw/zinc/60/42/62/487604262.db2.gz KEQUDUXXFSMRGZ-NSHDSACASA-N 0 3 352.407 0.833 40 0 FCABHN CN(C)C[C@H](NC(=O)c1cccn(CC(=O)N(C)C)c1=O)c1ccccc1 ZINC000019749964 487606722 /nfs/dbraw/zinc/60/67/22/487606722.db2.gz IKFHEBNHDINFTO-KRWDZBQOSA-N 0 3 370.453 0.969 40 0 FCABHN Cc1cc(C(=O)NC(C)(C)CN2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716366 487607054 /nfs/dbraw/zinc/60/70/54/487607054.db2.gz MMIXBRXUEOHPDQ-UHFFFAOYSA-N 0 3 373.457 0.925 40 0 FCABHN COC(=O)C1C(CN2CCN(C)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000020529201 487610852 /nfs/dbraw/zinc/61/08/52/487610852.db2.gz ZMYPDQZMECCPSS-QGZVFWFLSA-N 0 3 374.441 0.724 40 0 FCABHN CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000086053361 488452492 /nfs/dbraw/zinc/45/24/92/488452492.db2.gz ZVBPCOQJPAOXMI-YHUJOOKZSA-N 0 3 367.398 0.178 40 0 FCABHN Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000257308587 488526068 /nfs/dbraw/zinc/52/60/68/488526068.db2.gz TXHJHUAMCMOGNK-QXCFHYIPSA-N 0 3 370.453 0.461 40 0 FCABHN CCCS(=O)(=O)N[C@H]1CO[C@@H](CN(C)CCc2ccccc2)[C@@H]1O ZINC000514288857 490768633 /nfs/dbraw/zinc/76/86/33/490768633.db2.gz HNRIPIQVFXVBEZ-YESZJQIVSA-N 0 3 356.488 0.619 40 0 biogenic,in-vitro FCABHN CC(C)CCN1CCC[C@@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101228 491719633 /nfs/dbraw/zinc/71/96/33/491719633.db2.gz PFWHZAQRTGYLMI-GOSISDBHSA-N 0 3 365.478 0.785 40 0 FCABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1 ZINC000585181903 491720581 /nfs/dbraw/zinc/72/05/81/491720581.db2.gz KIVMYQJNXLQEDT-GFCCVEGCSA-N 0 3 357.414 0.459 40 0 FCABHN COCCNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O ZINC000585290899 491721708 /nfs/dbraw/zinc/72/17/08/491721708.db2.gz XLVYLXRPHVVKNE-WBVHZDCISA-N 0 3 356.850 0.443 40 0 FCABHN Cn1cc(CN2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)cn1 ZINC001772595210 1180022653 /nfs/dbraw/zinc/02/26/53/1180022653.db2.gz CGBVYYADCQTCLQ-GOSISDBHSA-N 0 3 372.517 0.580 40 0 FCABHN CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000107711855 209279578 /nfs/dbraw/zinc/27/95/78/209279578.db2.gz RARLMBGTZCGAGK-AEFFLSMTSA-N 0 3 350.463 0.896 40 0 FCABHN CN(C)CCNC(=O)[C@@H]1C[C@@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 ZINC000096262888 209147255 /nfs/dbraw/zinc/14/72/55/209147255.db2.gz XMZUCVLCUGVFBG-LPHOPBHVSA-N 0 3 360.458 0.893 40 0 FCABHN CCN(CC)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccnnc1)CCC2 ZINC000096197555 209133652 /nfs/dbraw/zinc/13/36/52/209133652.db2.gz PIUWLBGTLCOCTK-UHFFFAOYSA-N 0 3 356.430 0.921 40 0 FCABHN O=C([C@H]1CC2CCN1CC2)N1CCN(C(=O)[C@H]2CC3CCN2CC3)CC1 ZINC000001610887 206889939 /nfs/dbraw/zinc/88/99/39/206889939.db2.gz LMFLIIISBCCELP-QZTJIDSGSA-N 0 3 360.502 0.626 40 0 FCABHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000045164774 208326524 /nfs/dbraw/zinc/32/65/24/208326524.db2.gz LFGXXGZIJKVMOZ-UHFFFAOYSA-N 0 3 369.487 0.774 40 0 FCABHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1NS(C)(=O)=O ZINC000022822229 229148383 /nfs/dbraw/zinc/14/83/83/229148383.db2.gz MBEIRWLRGZYRST-UHFFFAOYSA-N 0 3 368.503 0.734 40 0 FCABHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000023110396 487628737 /nfs/dbraw/zinc/62/87/37/487628737.db2.gz LMTUMBSGCFAKMF-UHFFFAOYSA-N 0 3 355.460 0.770 40 0 FCABHN Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C[C@H](N)c3cccnc3)CC1)O2 ZINC000257230878 488523569 /nfs/dbraw/zinc/52/35/69/488523569.db2.gz GEHZCWQKDOSABZ-ZDUSSCGKSA-N 0 3 369.429 0.422 40 0 FCABHN CN1CCN([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]2O)CC1 ZINC000257264894 488524582 /nfs/dbraw/zinc/52/45/82/488524582.db2.gz LWKVXDOZEWAZPP-GJZGRUSLSA-N 0 3 355.870 0.136 40 0 FCABHN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257318647 488525992 /nfs/dbraw/zinc/52/59/92/488525992.db2.gz VOWGFTOSFOQODH-HOCLYGCPSA-N 0 3 359.417 0.692 40 0 FCABHN CCN(CC)C[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514289707 490768878 /nfs/dbraw/zinc/76/88/78/490768878.db2.gz YYVLHNCEVBMURF-IXDOHACOSA-N 0 3 356.488 0.650 40 0 biogenic,in-vitro FCABHN Cc1cc(C(=O)N2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(C)[nH]1 ZINC000585287977 491721196 /nfs/dbraw/zinc/72/11/96/491721196.db2.gz KMPVIWUSLWGLRM-ZACQAIPSSA-N 0 3 351.447 0.289 40 0 FCABHN O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(O)CC2)[C@@H](O)C1 ZINC000585285646 491721474 /nfs/dbraw/zinc/72/14/74/491721474.db2.gz RKZJPRAGLNNFEQ-ICSRJNTNSA-N 0 3 362.470 0.400 40 0 FCABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccncc2)C1 ZINC000585291033 491721630 /nfs/dbraw/zinc/72/16/30/491721630.db2.gz HYIDXEZDTJPZHZ-QUCCMNQESA-N 0 3 355.438 0.738 40 0 FCABHN Cn1nncc1S(=O)(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000328823438 214794166 /nfs/dbraw/zinc/79/41/66/214794166.db2.gz GPNRRDZHXGXCMZ-UHFFFAOYSA-N 0 3 365.459 0.767 40 0 FCABHN CN(C)CCNC(=O)c1nc2c(n1C)CCN(C(=O)c1ccccn1)C2 ZINC000096147103 209123071 /nfs/dbraw/zinc/12/30/71/209123071.db2.gz AJQDVHMAZJWBPA-UHFFFAOYSA-N 0 3 356.430 0.305 40 0 FCABHN CN1CCOC[C@]2(CC[C@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 ZINC000306126798 206665377 /nfs/dbraw/zinc/66/53/77/206665377.db2.gz FFNICLWKPHLARB-SJORKVTESA-N 0 3 354.472 0.986 40 0 FCABHN CC1=CC2=NC(=O)C[C@](C)(C(=O)NCC3(N(C)C)CCN(C)CC3)N2C=C1 ZINC000019461956 220262052 /nfs/dbraw/zinc/26/20/52/220262052.db2.gz UKCATKAGLNGBIK-LJQANCHMSA-N 0 3 373.501 0.992 40 0 FCABHN COc1ccccc1N(CCNCCCN1CCOCC1)S(C)(=O)=O ZINC000011117781 207310258 /nfs/dbraw/zinc/31/02/58/207310258.db2.gz ZFPDZIGCFZVXOL-UHFFFAOYSA-N 0 3 371.503 0.773 40 0 FCABHN Cn1cc(CN2CC[C@@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 ZINC000306125714 488893696 /nfs/dbraw/zinc/89/36/96/488893696.db2.gz CZJOFBKTEPHQPQ-GOSISDBHSA-N 0 3 366.429 0.320 40 0 FCABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cn1 ZINC000306142424 488894469 /nfs/dbraw/zinc/89/44/69/488894469.db2.gz WZEKLWVTUAKFEG-KBPBESRZSA-N 0 3 355.446 0.598 40 0 FCABHN CC(=O)N1CCC([NH+]2CCC(N3CCN(CCC(=O)[O-])CC3)CC2)CC1 ZINC000022794612 487624144 /nfs/dbraw/zinc/62/41/44/487624144.db2.gz MFZSXOPZALMLIM-UHFFFAOYSA-N 0 3 366.506 0.554 40 0 FCABHN CN1CCOCCOCCOCCOCCOCCOCCOCC1 ZINC000196948690 488438512 /nfs/dbraw/zinc/43/85/12/488438512.db2.gz AICGWQBSQKVXFM-UHFFFAOYSA-N 0 3 365.467 0.048 40 0 FCABHN CN1CCC(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000219673907 488444430 /nfs/dbraw/zinc/44/44/30/488444430.db2.gz VPRFVEFLANHNQG-UHFFFAOYSA-N 0 3 351.428 0.432 40 0 FCABHN CN1CCC(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000222750889 488447366 /nfs/dbraw/zinc/44/73/66/488447366.db2.gz PKXOZPLSXFMYRY-INIZCTEOSA-N 0 3 367.471 0.814 40 0 FCABHN CC(C)(C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1)n1cncn1 ZINC000257224967 488523274 /nfs/dbraw/zinc/52/32/74/488523274.db2.gz FEECOGNKDOBHKL-HNNXBMFYSA-N 0 3 357.405 0.708 40 0 FCABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000257217532 488523424 /nfs/dbraw/zinc/52/34/24/488523424.db2.gz CZJJXBHISUPWAW-HXUWFJFHSA-N 0 3 361.486 0.926 40 0 FCABHN CN(C)Cc1c[nH]c([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248744 488524328 /nfs/dbraw/zinc/52/43/28/488524328.db2.gz JEZWBYOECATWFR-CYBMUJFWSA-N 0 3 355.508 0.685 40 0 FCABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O ZINC000514289127 490768444 /nfs/dbraw/zinc/76/84/44/490768444.db2.gz VFBITSDBTCYFDY-VWNJHIHFSA-N 0 3 354.472 0.646 40 0 biogenic,in-vitro FCABHN CC1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3cccc(F)c3)[C@H]2O)CC1 ZINC000514289064 490768554 /nfs/dbraw/zinc/76/85/54/490768554.db2.gz MZGOIUNRBAUACL-YESZJQIVSA-N 0 3 372.462 0.964 40 0 biogenic,in-vitro FCABHN Cc1cc(C)c(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575424605 491553840 /nfs/dbraw/zinc/55/38/40/491553840.db2.gz UINAZLLLKFFATM-AWEZNQCLSA-N 0 3 360.501 0.748 40 0 FCABHN O[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCOCC1 ZINC000585273021 491720859 /nfs/dbraw/zinc/72/08/59/491720859.db2.gz OMNSAPKOHVUCBN-PMACEKPBSA-N 0 3 361.486 0.396 40 0 FCABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCN(C)C)[C@H]2O)cc1 ZINC000020463934 524087748 /nfs/dbraw/zinc/08/77/48/524087748.db2.gz NHJDBJAJZSDISR-IEWDOMPSSA-N 0 3 365.474 0.131 40 0 biogenic,in-vitro FCABHN OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O ZINC000020464818 527599635 /nfs/dbraw/zinc/59/96/35/527599635.db2.gz OJZZOFBTOMSNDT-YYIAUSFCSA-N 0 3 356.850 0.251 40 0 biogenic,in-vitro FCABHN CN(C)S(=O)(=O)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 ZINC000257329048 210000169 /nfs/dbraw/zinc/00/01/69/210000169.db2.gz XIEHUEZEHMBSIV-IRXDYDNUSA-N 0 3 353.488 0.894 40 0 FCABHN Cn1cnc(C(=O)N2CCC[C@@]3(C[C@H](CN4CCN(C)CC4)CO3)C2)c1 ZINC000096228473 209140966 /nfs/dbraw/zinc/14/09/66/209140966.db2.gz BFWFHSQQVHOJFL-VQIMIIECSA-N 0 3 361.490 0.679 40 0 FCABHN Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C[C@@H]4CCOC4)C3)C2)cn1 ZINC000096074557 209108865 /nfs/dbraw/zinc/10/88/65/209108865.db2.gz ADCBHCQOIVUQIB-KSSFIOAISA-N 0 3 359.430 0.659 40 0 FCABHN CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)CC1 ZINC000077264018 208199350 /nfs/dbraw/zinc/19/93/50/208199350.db2.gz BNMWKFNJPCNQSO-ZACQAIPSSA-N 0 3 353.463 0.022 40 0 biogenic,in-vitro FCABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008254146 487515094 /nfs/dbraw/zinc/51/50/94/487515094.db2.gz FOGIODWSAMEWMU-NXHRZFHOSA-N 0 3 370.457 0.235 40 0 biogenic,in-vitro FCABHN C[C@@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 ZINC000019078509 487602958 /nfs/dbraw/zinc/60/29/58/487602958.db2.gz UXZKSTJTCSOYCN-LSDHHAIUSA-N 0 3 359.474 0.549 40 0 FCABHN CC(C)(C)N1C[C@H](C(=O)NCCCN2CCC(C(N)=O)CC2)CC1=O ZINC000019659821 487605665 /nfs/dbraw/zinc/60/56/65/487605665.db2.gz ZWSBURNDNCVPLH-CQSZACIVSA-N 0 3 352.479 0.337 40 0 FCABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019760796 487606935 /nfs/dbraw/zinc/60/69/35/487606935.db2.gz LWQQVBGQQGQFSA-AWEZNQCLSA-N 0 3 368.507 0.740 40 0 FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674586 487612236 /nfs/dbraw/zinc/61/22/36/487612236.db2.gz DXYCHLKVKHZTMJ-HZPDHXFCSA-N 0 3 372.425 0.475 40 0 FCABHN CCc1[nH]nc(C(=O)N2CCC[C@@](O)(CN3CCN(C)CC3)CC2)c1C ZINC000257277018 488524426 /nfs/dbraw/zinc/52/44/26/488524426.db2.gz NWCYXABPJMEWEQ-IBGZPJMESA-N 0 3 363.506 0.885 40 0 FCABHN OCCCOc1ccc(CNC[C@]2(O)CCN(c3cnccn3)C2)cc1 ZINC000257307536 488525515 /nfs/dbraw/zinc/52/55/15/488525515.db2.gz SZDBLWWUWONVAL-LJQANCHMSA-N 0 3 358.442 0.969 40 0 FCABHN COCC(=O)N1CC2(C[C@]1(C)CO)CCN(Cc1cnn(C)c1)CC2 ZINC000257308716 488526099 /nfs/dbraw/zinc/52/60/99/488526099.db2.gz TXVNJQJWEXADGT-QGZVFWFLSA-N 0 3 350.463 0.632 40 0 FCABHN CN1CC[C@H](NC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175195039 488853332 /nfs/dbraw/zinc/85/33/32/488853332.db2.gz BURXIOYPPHCHQV-ZWKOTPCHSA-N 0 3 374.485 0.962 40 0 FCABHN CC(=O)N1CCC(N2CC3(C2)CN(CC(C)C)C[C@@H]2C[C@@H](O)CN23)CC1 ZINC000514288891 490768906 /nfs/dbraw/zinc/76/89/06/490768906.db2.gz GSQWHZLZQSWQDM-RBUKOAKNSA-N 0 3 364.534 0.459 40 0 biogenic,in-vitro FCABHN Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000575425507 491553747 /nfs/dbraw/zinc/55/37/47/491553747.db2.gz FPOOERUPBABVMT-OAHLLOKOSA-N 0 3 360.501 0.830 40 0 FCABHN NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425185 491553963 /nfs/dbraw/zinc/55/39/63/491553963.db2.gz PXWBEOMRWIZATM-NSHDSACASA-N 0 3 352.865 0.477 40 0 FCABHN Cc1ccc(Cl)cc1S(=O)(=O)N(CCN)[C@@H]1CCS(=O)(=O)C1 ZINC000575426159 491553980 /nfs/dbraw/zinc/55/39/80/491553980.db2.gz NQTGLCZZSRJGSZ-GFCCVEGCSA-N 0 3 366.892 0.785 40 0 FCABHN CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585287623 491721374 /nfs/dbraw/zinc/72/13/74/491721374.db2.gz ZQNZOQOPMCMFLG-SFHVURJKSA-N 0 3 365.449 0.994 40 0 FCABHN O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1 ZINC000585289079 491721555 /nfs/dbraw/zinc/72/15/55/491721555.db2.gz CXUXMZMQTVTNBZ-ICSRJNTNSA-N 0 3 362.470 0.258 40 0 FCABHN CCCn1cc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1 ZINC000585290599 491721847 /nfs/dbraw/zinc/72/18/47/491721847.db2.gz FWYBUSUGBLTYHY-KURKYZTESA-N 0 3 352.479 0.310 40 0 FCABHN CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccnnc1)CCC2 ZINC000096197561 209133282 /nfs/dbraw/zinc/13/32/82/209133282.db2.gz BZLBDMAHACCKLI-UHFFFAOYSA-N 0 3 356.430 0.920 40 0 FCABHN COCCN1CCOC[C@@]2(CC[C@H](CNC(=O)c3ccnnc3)O2)C1 ZINC000096063497 209107276 /nfs/dbraw/zinc/10/72/76/209107276.db2.gz FRXVCEOXQZVENY-NVXWUHKLSA-N 0 3 350.419 0.103 40 0 FCABHN CN1CCOC[C@]2(CC[C@@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 ZINC000306126797 488893715 /nfs/dbraw/zinc/89/37/15/488893715.db2.gz FFNICLWKPHLARB-IRXDYDNUSA-N 0 3 354.472 0.986 40 0 FCABHN O=C(NC[C@@H]1Cn2nccc2CN(C2CCOCC2)C1)c1ccnnc1 ZINC000306133165 488894394 /nfs/dbraw/zinc/89/43/94/488894394.db2.gz MDWFNZADMSLOAU-AWEZNQCLSA-N 0 3 356.430 0.714 40 0 FCABHN CN(C)C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N(C)C)c1)c1ccccc1 ZINC000019750950 487607216 /nfs/dbraw/zinc/60/72/16/487607216.db2.gz ZIMPUCDUYABWJF-QGZVFWFLSA-N 0 3 370.453 0.969 40 0 FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1 ZINC000020636864 487610634 /nfs/dbraw/zinc/61/06/34/487610634.db2.gz WIYSVAUOZLWRKP-CABCVRRESA-N 0 3 358.398 0.167 40 0 FCABHN CC(=O)O[C@@]1(C)[C@H](C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000086053358 488452409 /nfs/dbraw/zinc/45/24/09/488452409.db2.gz ZVBPCOQJPAOXMI-HMGGTWIASA-N 0 3 367.398 0.178 40 0 FCABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)COc2ccccc2)[C@H]1O ZINC000514288745 490769131 /nfs/dbraw/zinc/76/91/31/490769131.db2.gz BPMWGEYNDZQEQE-QSOKESPWSA-N 0 3 364.442 0.421 40 0 biogenic,in-vitro FCABHN NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000575420491 491553470 /nfs/dbraw/zinc/55/34/70/491553470.db2.gz CFQHNNZJIADUSD-OAHLLOKOSA-N 0 3 368.480 0.976 40 0 FCABHN Cc1ccc(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 ZINC000575425277 491553653 /nfs/dbraw/zinc/55/36/53/491553653.db2.gz SQUFYJLCXAUMRB-HNNXBMFYSA-N 0 3 360.501 0.830 40 0 FCABHN Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000575425506 491553698 /nfs/dbraw/zinc/55/36/98/491553698.db2.gz FPOOERUPBABVMT-HNNXBMFYSA-N 0 3 360.501 0.830 40 0 FCABHN CN(C)C/C=C/C(=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)CC1 ZINC000585290413 491721834 /nfs/dbraw/zinc/72/18/34/491721834.db2.gz WFCRYWNYGDGIOW-FNTIZSMSSA-N 0 3 350.463 0.777 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801525 521092528 /nfs/dbraw/zinc/09/25/28/521092528.db2.gz DYUHJOYMCBUMHL-JKSUJKDBSA-N 0 3 372.425 0.475 40 0 FCABHN CN(C)CCNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]1O2 ZINC000096253150 209143927 /nfs/dbraw/zinc/14/39/27/209143927.db2.gz WNSMBIKIFXYYKM-VNQPRFMTSA-N 0 3 367.471 0.142 40 0 FCABHN CN(C)CCNC(=O)[C@H]1C[C@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 ZINC000096262887 209147274 /nfs/dbraw/zinc/14/72/74/209147274.db2.gz XMZUCVLCUGVFBG-VQIMIIECSA-N 0 3 360.458 0.893 40 0 FCABHN COCCN1CC[C@@H](c2nnc3ccc(C(=O)N4CCOCC4)cn32)C1 ZINC000096267487 209147281 /nfs/dbraw/zinc/14/72/81/209147281.db2.gz BTMCHLQCMZTFJO-CQSZACIVSA-N 0 3 359.430 0.637 40 0 FCABHN CN(C)CCNC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 ZINC000096147332 209123586 /nfs/dbraw/zinc/12/35/86/209123586.db2.gz GGNJDDHEOKOVAG-UHFFFAOYSA-N 0 3 363.443 0.298 40 0 FCABHN CC(C)C[C@H](N)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 ZINC000012220131 207348874 /nfs/dbraw/zinc/34/88/74/207348874.db2.gz LYVFJYVDRCCZPK-NJSLBKSFSA-N 0 3 358.442 0.959 40 0 FCABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000045164772 208327273 /nfs/dbraw/zinc/32/72/73/208327273.db2.gz ZCAAPWJLWSEOKB-UHFFFAOYSA-N 0 3 357.451 0.904 40 0 FCABHN CC(=O)[C@@]1(O)CC=C2C[C@@H]3[C@@H]4C=C[C@@](O)(C(C)=O)[C@@H]5OC1=C2[C@@]54CCN3C ZINC000095932121 209086986 /nfs/dbraw/zinc/08/69/86/209086986.db2.gz SFFRCZUXEZQRMF-WUBFEPDMSA-N 0 3 371.433 0.890 40 0 FCABHN CN1CCOC[C@@]2(CC[C@@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 ZINC000306126795 488893815 /nfs/dbraw/zinc/89/38/15/488893815.db2.gz FFNICLWKPHLARB-DLBZAZTESA-N 0 3 354.472 0.986 40 0 FCABHN C[C@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 ZINC000019078511 487603311 /nfs/dbraw/zinc/60/33/11/487603311.db2.gz UXZKSTJTCSOYCN-CABCVRRESA-N 0 3 359.474 0.549 40 0 FCABHN O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1NCCN1CCOCC1 ZINC000022913531 487627369 /nfs/dbraw/zinc/62/73/69/487627369.db2.gz YQYKOKMXUUVSMZ-QZTJIDSGSA-N 0 3 355.429 0.822 40 0 FCABHN CCN(C)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 ZINC000072210845 488379338 /nfs/dbraw/zinc/37/93/38/488379338.db2.gz SVBKYEJQOUIUAB-UHFFFAOYSA-N 0 3 363.281 0.894 40 0 FCABHN COCCN1CCOC[C@]2(CC[C@@H](CNC(=O)c3ccnnc3)O2)C1 ZINC000247825506 488491193 /nfs/dbraw/zinc/49/11/93/488491193.db2.gz FRXVCEOXQZVENY-RDJZCZTQSA-N 0 3 350.419 0.103 40 0 FCABHN COCCN1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC000247908059 488491700 /nfs/dbraw/zinc/49/17/00/488491700.db2.gz XPPIAEUUVCBYON-YOEHRIQHSA-N 0 3 350.419 0.103 40 0 FCABHN CN1CCN([C@H]2CCN(C(=O)Cn3cnc4ccccc43)CC[C@@H]2O)CC1 ZINC000257290198 488525475 /nfs/dbraw/zinc/52/54/75/488525475.db2.gz QBZBFFBMVAYLMP-OALUTQOASA-N 0 3 371.485 0.636 40 0 FCABHN CN1CCCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 ZINC000585291528 491721748 /nfs/dbraw/zinc/72/17/48/491721748.db2.gz RGLYAHYHWIPRCL-QUCCMNQESA-N 0 3 361.486 0.191 40 0 FCABHN Cn1cncc1C(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000257279514 527504623 /nfs/dbraw/zinc/50/46/23/527504623.db2.gz OGZAYZMHJUYDRF-BZZMCLGOSA-N 0 3 356.426 0.071 40 0 FCABHN CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000101665506 209229751 /nfs/dbraw/zinc/22/97/51/209229751.db2.gz WGLSQUXKZSPXCH-CYBMUJFWSA-N 0 3 357.451 0.904 40 0 FCABHN Cc1ccccc1CNC(=O)N1C[C@H]2C[C@H](C(=O)NCCN(C)C)[C@@H](C1)O2 ZINC000096253153 209144340 /nfs/dbraw/zinc/14/43/40/209144340.db2.gz QEIODRNMIQFHME-FGTMMUONSA-N 0 3 374.485 0.972 40 0 FCABHN CN1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000035442367 207175160 /nfs/dbraw/zinc/17/51/60/207175160.db2.gz PNDHMEYIQUTYJG-WDYCEAGBSA-N 0 3 374.485 0.959 40 0 biogenic,in-vitro FCABHN CN(C)C(=O)[C@H]1CN(C(=O)C(C)(C)N)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000012125853 207341347 /nfs/dbraw/zinc/34/13/47/207341347.db2.gz WHPOCNYVESILPY-QRWLVFNGSA-N 0 3 372.469 0.385 40 0 FCABHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000091686432 208137490 /nfs/dbraw/zinc/13/74/90/208137490.db2.gz WRFFMRDPCGHWKF-AWEZNQCLSA-N 0 3 371.441 0.638 40 0 FCABHN CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)CC1 ZINC000077264290 208198783 /nfs/dbraw/zinc/19/87/83/208198783.db2.gz MJKYTIALISUBJQ-KURKYZTESA-N 0 3 361.442 0.145 40 0 biogenic,in-vitro FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]21 ZINC000306131750 488894679 /nfs/dbraw/zinc/89/46/79/488894679.db2.gz KOSSYKBARAHEOB-HZPDHXFCSA-N 0 3 353.426 0.829 40 0 FCABHN Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@H]3CCCN(C)C3)c2=O)no1 ZINC000019750131 487606922 /nfs/dbraw/zinc/60/69/22/487606922.db2.gz OUMUBGYXMBUCHN-ZDUSSCGKSA-N 0 3 373.413 0.607 40 0 FCABHN CCN(CC)S(=O)(=O)N1CCc2nc([C@H]3CCCN3)nc(NC)c2C1 ZINC000019711587 487607378 /nfs/dbraw/zinc/60/73/78/487607378.db2.gz AUSFURWRHFPTBE-CQSZACIVSA-N 0 3 368.507 0.888 40 0 FCABHN COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000022587424 487621968 /nfs/dbraw/zinc/62/19/68/487621968.db2.gz WLZVVVYNUWCIER-KRWDZBQOSA-N 0 3 374.441 0.724 40 0 FCABHN COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(C)CC1 ZINC000022926977 487627151 /nfs/dbraw/zinc/62/71/51/487627151.db2.gz ULTRDELSKQZNGY-YESZJQIVSA-N 0 3 369.579 0.055 40 0 biogenic,in-vitro FCABHN O=C(CNCCCN1CCOCC1)Nc1ccccc1N1CCOCC1 ZINC000035311448 487795800 /nfs/dbraw/zinc/79/58/00/487795800.db2.gz BUKMTCYWVTYIEM-UHFFFAOYSA-N 0 3 362.474 0.774 40 0 FCABHN CN1C[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1=O ZINC000072397267 488379834 /nfs/dbraw/zinc/37/98/34/488379834.db2.gz SNPQJXQRTZZUMY-UONOGXRCSA-N 0 3 357.458 0.649 40 0 FCABHN NC(=O)[C@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000208820459 488439448 /nfs/dbraw/zinc/43/94/48/488439448.db2.gz BFTIPPVTTJTHLM-NMKXLXIOSA-N 0 3 371.507 0.861 40 0 FCABHN Cn1cnc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C)CC4)CC3)ccc21 ZINC000257313784 488525778 /nfs/dbraw/zinc/52/57/78/488525778.db2.gz UUDKUOQCHFRROD-OALUTQOASA-N 0 3 371.485 0.786 40 0 FCABHN C[C@@]1(C(N)=O)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585282513 491721065 /nfs/dbraw/zinc/72/10/65/491721065.db2.gz FLPNREFOYBKAHL-KRWDZBQOSA-N 0 3 351.422 0.733 40 0 FCABHN CNC(=O)[C@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1 ZINC000585283390 491721321 /nfs/dbraw/zinc/72/13/21/491721321.db2.gz NZWJRNJCNBTEGC-AWEZNQCLSA-N 0 3 361.508 0.011 40 0 FCABHN CC(C)CN(CC(=O)NCc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291151 491721569 /nfs/dbraw/zinc/72/15/69/491721569.db2.gz LHDCJQPPNMOCQG-LMMKCTJWSA-N 0 3 350.459 0.629 40 0 FCABHN COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCC2)cc1 ZINC000020465014 523710676 /nfs/dbraw/zinc/71/06/76/523710676.db2.gz SKELUTLSOIPOCA-LTIDMASMSA-N 0 3 350.415 0.010 40 0 biogenic,in-vitro FCABHN CC[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@H](CO)[C@@H]1CN1CCN(C)CC1 ZINC001772594872 1179979265 /nfs/dbraw/zinc/97/92/65/1179979265.db2.gz CMAPQBCYWGFLHD-JFIYKMOQSA-N 0 3 363.506 0.435 40 0 FCABHN CN1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000022822122 529771168 /nfs/dbraw/zinc/77/11/68/529771168.db2.gz XSENFTSEAHRFGQ-UHFFFAOYSA-N 0 3 354.476 0.425 40 0 FCABHN O=C(NCc1ccco1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298557 291031704 /nfs/dbraw/zinc/03/17/04/291031704.db2.gz KPUMDYCVWZVXFO-LXZKKBNFSA-N 0 3 359.430 0.433 40 0 biogenic,in-vitro FCABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccnn3C)[C@H](N(C)C)[C@H]2O)c1 ZINC000257343374 223073561 /nfs/dbraw/zinc/07/35/61/223073561.db2.gz ZSSIIXGGRJRTII-BGTYHANMSA-N 0 3 374.441 0.670 40 0 FCABHN O=S(=O)(C1CCCC1)N1CCC(c2nnc3n2CCNCC3)CC1 ZINC000019709512 211247914 /nfs/dbraw/zinc/24/79/14/211247914.db2.gz XRUNTYRKNSIMEX-UHFFFAOYSA-N 0 3 353.492 0.876 40 0 FCABHN CN(C)S(=O)(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1 ZINC000013677833 211048180 /nfs/dbraw/zinc/04/81/80/211048180.db2.gz ROEBBXBZIWSEOZ-UHFFFAOYSA-N 0 3 360.524 0.497 40 0 FCABHN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)Nc1ccc(F)cc1F ZINC000020465036 220327379 /nfs/dbraw/zinc/32/73/79/220327379.db2.gz LZHWPYAQCCXRTM-FXUDXRNXSA-N 0 3 371.384 0.671 40 0 biogenic,in-vitro FCABHN CN(C)CCN(C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccccc2)[C@@H]1O ZINC000020463961 220327809 /nfs/dbraw/zinc/32/78/09/220327809.db2.gz OUSVDKSUFBAXMX-OVYGPGRDSA-N 0 3 364.446 0.155 40 0 biogenic,in-vitro FCABHN CC(C)[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061992893 221138282 /nfs/dbraw/zinc/13/82/82/221138282.db2.gz SOODLZHDDSGRKL-LQZABQIISA-N 0 3 353.415 0.244 40 0 FCABHN CN(C)C(=O)[C@]12CN(Cc3cnn(C)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251134 132224197 /nfs/dbraw/zinc/22/41/97/132224197.db2.gz NPLBPXOSWBSJBA-VQIMIIECSA-N 0 3 369.473 0.769 40 0 FCABHN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC1CCN(C)CC1)O2 ZINC000113952939 132247112 /nfs/dbraw/zinc/24/71/12/132247112.db2.gz XWLVGBKQJJKXPS-MRXNPFEDSA-N 0 3 367.471 0.732 40 0 FCABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1c(C)nn(C)c1C)CC[C@@H]2OC ZINC000096109409 222028121 /nfs/dbraw/zinc/02/81/21/222028121.db2.gz YIEOPZBCKXHPOT-ZNMIVQPWSA-N 0 3 356.492 0.767 40 0 FCABHN Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CCN2Cc2cnn(C)c2)cn1 ZINC000096087481 222018491 /nfs/dbraw/zinc/01/84/91/222018491.db2.gz LFGRKVOBKNLZDR-MOPGFXCFSA-N 0 3 357.506 0.587 40 0 FCABHN CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1 ZINC000019760281 487606896 /nfs/dbraw/zinc/60/68/96/487606896.db2.gz UEUZCEZWWHFGJM-CQSZACIVSA-N 0 3 370.523 0.986 40 0 FCABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccn2)CC1 ZINC000067897168 488357912 /nfs/dbraw/zinc/35/79/12/488357912.db2.gz ZDUGPFWTUGUBKK-MSOLQXFVSA-N 0 3 358.442 0.504 40 0 biogenic,in-vitro FCABHN NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425184 491553967 /nfs/dbraw/zinc/55/39/67/491553967.db2.gz PXWBEOMRWIZATM-LLVKDONJSA-N 0 3 352.865 0.477 40 0 FCABHN CCOC(=O)N1CCC(O)(CN2C[C@@H]3CCCN3C[C@H]2CCO)CC1 ZINC000585282211 491721144 /nfs/dbraw/zinc/72/11/44/491721144.db2.gz BQVTWOFMYINNMP-JKSUJKDBSA-N 0 3 355.479 0.501 40 0 FCABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(O)CC2)C1 ZINC000585290781 491721813 /nfs/dbraw/zinc/72/18/13/491721813.db2.gz FNZXGJBUTXBWEX-AEFFLSMTSA-N 0 3 368.861 0.273 40 0 FCABHN CN(C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604381803 492059494 /nfs/dbraw/zinc/05/94/94/492059494.db2.gz PDWDFEMUDYFVLB-GRLWTPEZSA-N 0 3 352.406 0.679 40 0 biogenic,in-vitro FCABHN OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCOCC2)[C@@H]1O ZINC000020464820 527599461 /nfs/dbraw/zinc/59/94/61/527599461.db2.gz OJZZOFBTOMSNDT-LTIDMASMSA-N 0 3 356.850 0.251 40 0 biogenic,in-vitro FCABHN CN1CCN(C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 ZINC000257239612 529773145 /nfs/dbraw/zinc/77/31/45/529773145.db2.gz HQCUFABODWPSIW-IBGZPJMESA-N 0 3 361.490 0.503 40 0 FCABHN CN1CCN(C[C@]2(O)CCCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000257217531 529773290 /nfs/dbraw/zinc/77/32/90/529773290.db2.gz CZJJXBHISUPWAW-FQEVSTJZSA-N 0 3 361.486 0.926 40 0 FCABHN CN1CCn2c(C(=O)N3CCOCC3)nnc2C12CCN(CC1CC1)CC2 ZINC000306133902 210054340 /nfs/dbraw/zinc/05/43/40/210054340.db2.gz MYVLZIGAJUVVSD-UHFFFAOYSA-N 0 3 374.489 0.397 40 0 FCABHN Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)n1 ZINC000257273898 223047542 /nfs/dbraw/zinc/04/75/42/223047542.db2.gz NIQPGBFFVHQINW-AWEZNQCLSA-N 0 3 354.476 0.822 40 0 FCABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000022525352 211354579 /nfs/dbraw/zinc/35/45/79/211354579.db2.gz TZUVBXHWGOZOLG-UHFFFAOYSA-N 0 3 353.488 0.906 40 0 FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674592 211293363 /nfs/dbraw/zinc/29/33/63/211293363.db2.gz DXYCHLKVKHZTMJ-CVEARBPZSA-N 0 3 372.425 0.475 40 0 FCABHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000091686429 208137404 /nfs/dbraw/zinc/13/74/04/208137404.db2.gz WRFFMRDPCGHWKF-CQSZACIVSA-N 0 3 371.441 0.638 40 0 FCABHN CC(C)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000001689687 210364999 /nfs/dbraw/zinc/36/49/99/210364999.db2.gz OJKHWKUUKANMMH-UONOGXRCSA-N 0 3 370.475 0.397 40 0 FCABHN CCN1CCN(c2ncc3c(ccn(CCc4cnc[nH]4)c3=O)n2)CC1 ZINC000047165056 136122564 /nfs/dbraw/zinc/12/25/64/136122564.db2.gz SQIJWVQTUVCULW-UHFFFAOYSA-N 0 3 353.430 0.899 40 0 FCABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228454 222089758 /nfs/dbraw/zinc/08/97/58/222089758.db2.gz POUIBKNFXSRTBP-LPHOPBHVSA-N 0 3 359.474 0.735 40 0 FCABHN C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000005080892 487485009 /nfs/dbraw/zinc/48/50/09/487485009.db2.gz YEXVXKIMPBHRQR-XZEWGWFPSA-N 0 3 353.415 0.244 40 0 FCABHN C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000005412806 487487748 /nfs/dbraw/zinc/48/77/48/487487748.db2.gz YEXVXKIMPBHRQR-JMJKVCOMSA-N 0 3 353.415 0.244 40 0 FCABHN CN1C[C@@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1=O ZINC000019590362 487605300 /nfs/dbraw/zinc/60/53/00/487605300.db2.gz SNPQJXQRTZZUMY-KGLIPLIRSA-N 0 3 357.458 0.649 40 0 FCABHN Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC3CCOCC3)[C@@H]2O)cc1 ZINC000077264715 488409912 /nfs/dbraw/zinc/40/99/12/488409912.db2.gz XPCYHCFUKWIOCZ-ZACQAIPSSA-N 0 3 370.471 0.170 40 0 biogenic,in-vitro FCABHN OCCCOc1ccc(CNC[C@@]2(O)CCN(c3cnccn3)C2)cc1 ZINC000257307535 488525041 /nfs/dbraw/zinc/52/50/41/488525041.db2.gz SZDBLWWUWONVAL-IBGZPJMESA-N 0 3 358.442 0.969 40 0 FCABHN OCCCOc1ccc(CN2CC[C@](O)(CN3CCOCC3)C2)cc1 ZINC000585269904 491720573 /nfs/dbraw/zinc/72/05/73/491720573.db2.gz POODPDITBOSCTL-IBGZPJMESA-N 0 3 350.459 0.717 40 0 FCABHN CN(C1CCN(C(=O)/C=C/c2ccco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288192 491721207 /nfs/dbraw/zinc/72/12/07/491721207.db2.gz QPPMKBXQDRVLLP-LFYVNMEBSA-N 0 3 350.415 0.336 40 0 FCABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccccn2)C1 ZINC000585284353 491721420 /nfs/dbraw/zinc/72/14/20/491721420.db2.gz KDKVEHKNLDITTK-AZUAARDMSA-N 0 3 355.438 0.852 40 0 FCABHN COc1ccc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585290943 491721830 /nfs/dbraw/zinc/72/18/30/491721830.db2.gz JDCGCRABWCVUQX-QRVBRYPASA-N 0 3 350.459 0.712 40 0 FCABHN CN(C)CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044910146 535887696 /nfs/dbraw/zinc/88/76/96/535887696.db2.gz IGJLNPFGVQSCFB-ZDUSSCGKSA-N 0 3 361.851 0.545 40 0 FCABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)cn1 ZINC000306142426 210057573 /nfs/dbraw/zinc/05/75/73/210057573.db2.gz WZEKLWVTUAKFEG-UONOGXRCSA-N 0 3 355.446 0.598 40 0 FCABHN CN(C)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 ZINC000008298571 291028890 /nfs/dbraw/zinc/02/88/90/291028890.db2.gz KVLIKMFMXFESFI-LESCRADOSA-N 0 3 372.473 0.960 40 0 biogenic,in-vitro FCABHN CN1CCc2nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 ZINC000019590485 211239526 /nfs/dbraw/zinc/23/95/26/211239526.db2.gz ZFUBYUBWWLEOPC-CQSZACIVSA-N 0 3 365.503 0.985 40 0 FCABHN C[C@@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCCC1=O ZINC000019078103 211201506 /nfs/dbraw/zinc/20/15/06/211201506.db2.gz COXCHCXFULHFCE-ZDUSSCGKSA-N 0 3 357.458 0.839 40 0 FCABHN CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)C1 ZINC000096267701 222107781 /nfs/dbraw/zinc/10/77/81/222107781.db2.gz ZAVJXUZODFRBSF-GDBMZVCRSA-N 0 3 370.457 0.841 40 0 FCABHN COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1 ZINC000020503808 229148278 /nfs/dbraw/zinc/14/82/78/229148278.db2.gz CBWHGWZXBNXNQD-HRCADAONSA-N 0 3 356.536 0.140 40 0 biogenic,in-vitro FCABHN Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000010111654 487531524 /nfs/dbraw/zinc/53/15/24/487531524.db2.gz WJVFQJPUHGFFLD-UHFFFAOYSA-N 0 3 355.460 0.307 40 0 FCABHN CN1C[C@@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1=O ZINC000019590363 487605673 /nfs/dbraw/zinc/60/56/73/487605673.db2.gz SNPQJXQRTZZUMY-KBPBESRZSA-N 0 3 357.458 0.649 40 0 FCABHN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(CC2CC2)CC3)C1=O ZINC000096036555 488488633 /nfs/dbraw/zinc/48/86/33/488488633.db2.gz KQJFGASRHWUDCK-GOSISDBHSA-N 0 3 369.531 0.992 40 0 FCABHN CN(C)S(=O)(=O)N(CC(=O)NC1CCN(C)CC1)c1ccccc1F ZINC000113947688 488539163 /nfs/dbraw/zinc/53/91/63/488539163.db2.gz MZDLPYWVTRFJPU-UHFFFAOYSA-N 0 3 372.466 0.649 40 0 FCABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)NCc2ccccc2)[C@H]1O ZINC000514289060 518093691 /nfs/dbraw/zinc/09/36/91/518093691.db2.gz PYAVVJBCSMHNIH-VSZNYVQBSA-N 0 3 363.458 0.725 40 0 biogenic,in-vitro FCABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298238 1192256747 /nfs/dbraw/zinc/25/67/47/1192256747.db2.gz NIWMRDRVLDRPEA-JQHSSLGASA-N 0 3 355.442 0.797 40 0 biogenic,in-vitro FCABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1O ZINC000952844609 1206208045 /nfs/dbraw/zinc/20/80/45/1206208045.db2.gz AUNLAUDDOREMEW-HSFUPAIVSA-N 0 3 359.382 0.736 40 0 biogenic,in-vitro FCABHN O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1ccc2c(c1)OCO2 ZINC001549160097 1267838223 /nfs/dbraw/zinc/83/82/23/1267838223.db2.gz AIPVIAHEGCNETA-BMGDILEWSA-N 0 3 358.398 0.802 40 0 FCABHN CN1CCN(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000022822185 529770918 /nfs/dbraw/zinc/77/09/18/529770918.db2.gz UBFKBJHHXQSYQZ-UHFFFAOYSA-N 0 3 354.476 0.425 40 0 FCABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2cn(C)nc2C)c1 ZINC000257320892 529951095 /nfs/dbraw/zinc/95/10/95/529951095.db2.gz VZBSQMBVQFYIAS-KRWDZBQOSA-N 0 3 370.457 0.673 40 0 FCABHN O=C(NC[C@]1(O)CN(CCCc2ccccc2)C[C@H]1O)c1ccccn1 ZINC000257342309 223073045 /nfs/dbraw/zinc/07/30/45/223073045.db2.gz ZOCGFFQWZWXUJZ-QUCCMNQESA-N 0 3 355.438 0.852 40 0 FCABHN CNC(=O)[C@]12CN(Cc3cnn(C)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251092 132224208 /nfs/dbraw/zinc/22/42/08/132224208.db2.gz FUMQJFJKPNSICX-CRAIPNDOSA-N 0 3 355.446 0.427 40 0 FCABHN Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C[C@@H]4CCOC4)C3)C2)cn1 ZINC000096074556 222012508 /nfs/dbraw/zinc/01/25/08/222012508.db2.gz ADCBHCQOIVUQIB-KBXCAEBGSA-N 0 3 359.430 0.659 40 0 FCABHN COCCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(CCOC)CC2 ZINC000096199891 222073343 /nfs/dbraw/zinc/07/33/43/222073343.db2.gz WOEDKXJXJFUMCR-INIZCTEOSA-N 0 3 350.463 0.863 40 0 FCABHN O=C1N(CCN2CCCC2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000096224256 222087211 /nfs/dbraw/zinc/08/72/11/222087211.db2.gz BMUHXAMEAQRZQN-QGZVFWFLSA-N 0 3 355.504 0.889 40 0 FCABHN COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004897778 487481895 /nfs/dbraw/zinc/48/18/95/487481895.db2.gz WLEPKBUDTQLMKJ-UHFFFAOYSA-N 0 3 355.460 0.064 40 0 FCABHN CCN1CCN(S(=O)(=O)c2cncc(Cl)c2N2CCNCC2)CC1 ZINC000072210796 488379290 /nfs/dbraw/zinc/37/92/90/488379290.db2.gz RGBRHEXAIDZYPZ-UHFFFAOYSA-N 0 3 373.910 0.471 40 0 FCABHN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCN(C)C ZINC000222580037 488446997 /nfs/dbraw/zinc/44/69/97/488446997.db2.gz ZOLFNHBJLAIVDK-UHFFFAOYSA-N 0 3 357.476 0.556 40 0 FCABHN CN1CCC(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000224254513 488449473 /nfs/dbraw/zinc/44/94/73/488449473.db2.gz XRJUIRFMQXNWLQ-UHFFFAOYSA-N 0 3 357.451 0.798 40 0 FCABHN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000225005397 488449508 /nfs/dbraw/zinc/44/95/08/488449508.db2.gz SYDITXDPCRNWJJ-OAHLLOKOSA-N 0 3 357.476 0.918 40 0 FCABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CCN1CCCCC1)C2 ZINC000096038729 488488622 /nfs/dbraw/zinc/48/86/22/488488622.db2.gz BBKXUGDGBSIOLY-IEBWSBKVSA-N 0 3 351.491 0.812 40 0 FCABHN Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 ZINC000108532577 488519606 /nfs/dbraw/zinc/51/96/06/488519606.db2.gz SUMPMHJMBFZESI-OAHLLOKOSA-N 0 3 356.492 0.791 40 0 FCABHN CN(C1CCN(C(=O)CCc2ccco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287710 491721496 /nfs/dbraw/zinc/72/14/96/491721496.db2.gz BWCVYXSZZLUXTJ-NUJGCVRESA-N 0 3 352.431 0.256 40 0 FCABHN Cc1ccsc1CN1CC[C@@](O)(CNC(=O)c2cnc[nH]2)[C@H](O)C1 ZINC000257226881 534471448 /nfs/dbraw/zinc/47/14/48/534471448.db2.gz FMPCXAKJIWVDAJ-GDBMZVCRSA-N 0 3 350.444 0.507 40 0 FCABHN Cn1cncc1CN1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1CN(C)CCN12 ZINC001772595217 1180029175 /nfs/dbraw/zinc/02/91/75/1180029175.db2.gz CSOOLOFUCHDYEL-GOSISDBHSA-N 0 3 372.517 0.580 40 0 FCABHN Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc4c(c3)OCO4)[C@@H]2O)c1 ZINC000952844734 1206207765 /nfs/dbraw/zinc/20/77/65/1206207765.db2.gz HXCQAWQEFYEQQY-HSFUPAIVSA-N 0 3 359.382 0.736 40 0 biogenic,in-vitro FCABHN CN1CCN([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)CC[C@@H]2O)CC1 ZINC000257215028 529776469 /nfs/dbraw/zinc/77/64/69/529776469.db2.gz COJDBEUGVCKRIN-IRXDYDNUSA-N 0 3 359.474 0.567 40 0 FCABHN Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CCN(Cc2cccnc2)C1 ZINC000306129413 210052466 /nfs/dbraw/zinc/05/24/66/210052466.db2.gz ICGXEAQJPMMWFH-IBGZPJMESA-N 0 3 363.425 0.981 40 0 FCABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298857 291031133 /nfs/dbraw/zinc/03/11/33/291031133.db2.gz BRVWAFDZANYSSS-QGTPRVQTSA-N 0 3 361.490 0.972 40 0 biogenic,in-vitro FCABHN CNCC(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1 ZINC000012604815 220013537 /nfs/dbraw/zinc/01/35/37/220013537.db2.gz KIGAVZCSHSTZCI-GWCFXTLKSA-N 0 3 350.806 0.601 40 0 biogenic,in-vitro FCABHN CN(C)C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N(C)C)c1)c1ccccc1 ZINC000019750952 211253940 /nfs/dbraw/zinc/25/39/40/211253940.db2.gz ZIMPUCDUYABWJF-KRWDZBQOSA-N 0 3 370.453 0.969 40 0 FCABHN CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCC3(N(C)C)CCN(C)CC3)N2C=C1 ZINC000019461958 211222672 /nfs/dbraw/zinc/22/26/72/211222672.db2.gz UKCATKAGLNGBIK-IBGZPJMESA-N 0 3 373.501 0.992 40 0 FCABHN N[C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000001616446 210362113 /nfs/dbraw/zinc/36/21/13/210362113.db2.gz YWFZWSSERWXERI-QZTJIDSGSA-N 0 3 354.454 0.359 40 0 FCABHN Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCN(C)CC4)O[C@@H]3C2)nn1 ZINC000096042774 132217292 /nfs/dbraw/zinc/21/72/92/132217292.db2.gz ROEHKMDTYWDOBN-USXIJHARSA-N 0 3 359.474 0.979 40 0 FCABHN COCCN1CCC2(CC3(CCN(S(C)(=O)=O)CC3)N(C)C2=O)CC1 ZINC000096143681 222046931 /nfs/dbraw/zinc/04/69/31/222046931.db2.gz XZVVWWGVCOISFF-UHFFFAOYSA-N 0 3 373.519 0.371 40 0 FCABHN CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000101665510 222280417 /nfs/dbraw/zinc/28/04/17/222280417.db2.gz WGLSQUXKZSPXCH-ZDUSSCGKSA-N 0 3 357.451 0.904 40 0 FCABHN CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCCN(C)C ZINC000005412670 487487477 /nfs/dbraw/zinc/48/74/77/487487477.db2.gz DYIANAGXBZJLBN-HOTGVXAUSA-N 0 3 354.495 0.855 40 0 biogenic,in-vitro FCABHN COc1ccc(OC)c(N(CC(=O)NCCN(C)C)S(C)(=O)=O)c1 ZINC000010111561 487531585 /nfs/dbraw/zinc/53/15/85/487531585.db2.gz BAYOLGYALSMAMT-UHFFFAOYSA-N 0 3 359.448 0.148 40 0 FCABHN CN1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000216435110 488441708 /nfs/dbraw/zinc/44/17/08/488441708.db2.gz QWBOTXSIKPTQOV-UHFFFAOYSA-N 0 3 360.502 0.886 40 0 FCABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218143501 488442546 /nfs/dbraw/zinc/44/25/46/488442546.db2.gz JIVZNEBULDJISC-DZKIICNBSA-N 0 3 355.412 0.824 40 0 FCABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218143404 488442898 /nfs/dbraw/zinc/44/28/98/488442898.db2.gz JIVZNEBULDJISC-IJEWVQPXSA-N 0 3 355.412 0.824 40 0 FCABHN CCOCCOc1ccc(CN[C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)cc1 ZINC000257256309 488523994 /nfs/dbraw/zinc/52/39/94/488523994.db2.gz KKXLPUSIEXRQHH-BHIYHBOVSA-N 0 3 366.458 0.534 40 0 FCABHN COc1ccc(C(=O)CN(CCN)[C@@]2(C)CCS(=O)(=O)C2)cc1OC ZINC000575421501 491553527 /nfs/dbraw/zinc/55/35/27/491553527.db2.gz ITYDUEJZEZFLIR-KRWDZBQOSA-N 0 3 370.471 0.724 40 0 FCABHN Cc1ccc(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c(C)c1 ZINC000575425280 491553706 /nfs/dbraw/zinc/55/37/06/491553706.db2.gz SQUFYJLCXAUMRB-OAHLLOKOSA-N 0 3 360.501 0.830 40 0 FCABHN NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575424946 491553762 /nfs/dbraw/zinc/55/37/62/491553762.db2.gz CRBZHUAPYVXQSH-ZDUSSCGKSA-N 0 3 369.468 0.371 40 0 FCABHN CC(C)N(CCO)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585284348 491721305 /nfs/dbraw/zinc/72/13/05/491721305.db2.gz KAHXNZYNTPZQTH-FUHWJXTLSA-N 0 3 370.877 0.981 40 0 FCABHN O[C@H]1CCN(CC2(O)CCOCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585288160 491721327 /nfs/dbraw/zinc/72/13/27/491721327.db2.gz YDSVINNZPPNYBG-WMZOPIPTSA-N 0 3 355.406 0.544 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccccn3)C[C@H]21 ZINC000306139410 210055414 /nfs/dbraw/zinc/05/54/14/210055414.db2.gz SWOHFBWQSCKRHO-HOCLYGCPSA-N 0 3 353.426 0.829 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674589 211294053 /nfs/dbraw/zinc/29/40/53/211294053.db2.gz DXYCHLKVKHZTMJ-JKSUJKDBSA-N 0 3 372.425 0.475 40 0 FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1 ZINC000020636858 211292009 /nfs/dbraw/zinc/29/20/09/211292009.db2.gz WIYSVAUOZLWRKP-HUUCEWRRSA-N 0 3 358.398 0.167 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1 ZINC000020636866 211290733 /nfs/dbraw/zinc/29/07/33/211290733.db2.gz WIYSVAUOZLWRKP-GJZGRUSLSA-N 0 3 358.398 0.167 40 0 FCABHN CN(C)C[C@@H](NC(=O)c1cccn(CC(=O)N(C)C)c1=O)c1ccccc1 ZINC000019749963 211252996 /nfs/dbraw/zinc/25/29/96/211252996.db2.gz IKFHEBNHDINFTO-QGZVFWFLSA-N 0 3 370.453 0.969 40 0 FCABHN CC1CCN([C@H]2[C@@H](CNC(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465987 220328168 /nfs/dbraw/zinc/32/81/68/220328168.db2.gz QEOPVZBFHCJSLM-BFJAYTPKSA-N 0 3 354.472 0.699 40 0 biogenic,in-vitro FCABHN CN(C)CCOC[C@H]1CN(C(=O)C2CCOCC2)Cc2nnn(C)c21 ZINC000096060692 222007411 /nfs/dbraw/zinc/00/74/11/222007411.db2.gz PWHUAKTXCULFLJ-CQSZACIVSA-N 0 3 351.451 0.246 40 0 FCABHN CC(C)N(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 ZINC000096197563 222073605 /nfs/dbraw/zinc/07/36/05/222073605.db2.gz JIVKPLFUKRNPAB-UHFFFAOYSA-N 0 3 354.476 0.781 40 0 FCABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228455 222089536 /nfs/dbraw/zinc/08/95/36/222089536.db2.gz POUIBKNFXSRTBP-APWZRJJASA-N 0 3 359.474 0.735 40 0 FCABHN CN(C)CCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000012085661 487547844 /nfs/dbraw/zinc/54/78/44/487547844.db2.gz XOQOFJCPQDUGJH-IBGZPJMESA-N 0 3 374.441 0.195 40 0 FCABHN CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)CC1 ZINC000077263853 488409675 /nfs/dbraw/zinc/40/96/75/488409675.db2.gz HGYNXQZVEXMWJV-INMHGKMJSA-N 0 3 355.479 0.268 40 0 biogenic,in-vitro FCABHN CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000193913647 488429997 /nfs/dbraw/zinc/42/99/97/488429997.db2.gz WGZBDUBQFFJEPG-UHFFFAOYSA-N 0 3 351.472 0.861 40 0 FCABHN CC1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CC1 ZINC000514288958 490769079 /nfs/dbraw/zinc/76/90/79/490769079.db2.gz LQKMRVSPJPTFRK-YESZJQIVSA-N 0 3 354.472 0.825 40 0 biogenic,in-vitro FCABHN COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@H]1CCS(=O)(=O)C1 ZINC000575421004 491553483 /nfs/dbraw/zinc/55/34/83/491553483.db2.gz HIWMEIUIOAQQCO-LBPRGKRZSA-N 0 3 362.473 0.140 40 0 FCABHN COc1ccc(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575424526 491553944 /nfs/dbraw/zinc/55/39/44/491553944.db2.gz AWVLYLRVYVAJRJ-CQSZACIVSA-N 0 3 362.473 0.222 40 0 FCABHN CO[C@@H]1COC[C@@H](N(C)C(=O)c2cccc(OCCN(C)C)c2)[C@@H]1O ZINC000585287055 491721178 /nfs/dbraw/zinc/72/11/78/491721178.db2.gz RWHKFGNJYMGNHD-ZACQAIPSSA-N 0 3 352.431 0.474 40 0 FCABHN Cc1ccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)cc1 ZINC000585284603 491721270 /nfs/dbraw/zinc/72/12/70/491721270.db2.gz UBQQNVKQHSRFLB-ROUUACIJSA-N 0 3 359.470 0.868 40 0 FCABHN CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585287621 491721425 /nfs/dbraw/zinc/72/14/25/491721425.db2.gz ZQNZOQOPMCMFLG-GOSISDBHSA-N 0 3 365.449 0.994 40 0 FCABHN NC(=O)CN1CCCC[C@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 ZINC000585291185 491721638 /nfs/dbraw/zinc/72/16/38/491721638.db2.gz MYIUHQKPVHRPEN-KCCJJVRFSA-N 0 3 364.490 0.063 40 0 FCABHN CN(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020482147 521784548 /nfs/dbraw/zinc/78/45/48/521784548.db2.gz APQUBRIDCCXIFN-UHFFFAOYSA-N 0 3 355.460 0.140 40 0 FCABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CNC(C)=O)CC1 ZINC000257314505 528862241 /nfs/dbraw/zinc/86/22/41/528862241.db2.gz UXGVFGQOFZXZQH-IBGZPJMESA-N 0 3 362.474 0.783 40 0 FCABHN CN(C)CCN1CC[C@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O ZINC000585093492 546524286 /nfs/dbraw/zinc/52/42/86/546524286.db2.gz ZQRKUCXTPNXNPO-ZUEPYMLJSA-N 0 3 359.417 0.405 40 0 FCABHN COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc3c(c2)OCO3)nn1 ZINC001549159248 1267839181 /nfs/dbraw/zinc/83/91/81/1267839181.db2.gz SIJCNBVIIDTDAV-IAOVAPTHSA-N 0 3 362.386 0.071 40 0 FCABHN CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2cn(C)nc2C)c1 ZINC000257320893 529951138 /nfs/dbraw/zinc/95/11/38/529951138.db2.gz VZBSQMBVQFYIAS-QGZVFWFLSA-N 0 3 370.457 0.673 40 0 FCABHN Cc1ccc(C)c(Cn2c(N3CCNCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004945238 219630046 /nfs/dbraw/zinc/63/00/46/219630046.db2.gz FOIMFDDMVYQRNY-UHFFFAOYSA-N 0 3 368.441 0.498 40 0 FCABHN CN(C)Cc1c[nH]c([C@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248745 223036573 /nfs/dbraw/zinc/03/65/73/223036573.db2.gz JEZWBYOECATWFR-ZDUSSCGKSA-N 0 3 355.508 0.685 40 0 FCABHN Cn1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1=O ZINC000257258505 223039641 /nfs/dbraw/zinc/03/96/41/223039641.db2.gz KUHKDGOUIHJQLF-INIZCTEOSA-N 0 3 355.385 0.693 40 0 FCABHN O=C(CN1CCCC1=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257313477 223061565 /nfs/dbraw/zinc/06/15/65/223061565.db2.gz USQZRTMEYSJXHS-FQEVSTJZSA-N 0 3 357.454 0.631 40 0 FCABHN CN(C)CCn1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)c2cccnc21 ZINC000019583296 211238246 /nfs/dbraw/zinc/23/82/46/211238246.db2.gz WGNNKFPFCAYQCT-ZDUSSCGKSA-N 0 3 366.491 0.589 40 0 FCABHN CCN(CC)S(=O)(=O)N1CCc2nc([C@@H]3CCCN3)nc(NC)c2C1 ZINC000019711586 211246492 /nfs/dbraw/zinc/24/64/92/211246492.db2.gz AUSFURWRHFPTBE-AWEZNQCLSA-N 0 3 368.507 0.888 40 0 FCABHN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(CC2CC2)CC3)C1=O ZINC000096036554 221994459 /nfs/dbraw/zinc/99/44/59/221994459.db2.gz KQJFGASRHWUDCK-SFHVURJKSA-N 0 3 369.531 0.992 40 0 FCABHN CN(C)C(=O)COC[C@H]1CC2(CO1)CCN(Cc1cnn(C)c1)CC2 ZINC000096209418 222079397 /nfs/dbraw/zinc/07/93/97/222079397.db2.gz NGPHAJYBMZMPLT-MRXNPFEDSA-N 0 3 350.463 0.896 40 0 FCABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)CC1 ZINC000096228453 222089217 /nfs/dbraw/zinc/08/92/17/222089217.db2.gz POUIBKNFXSRTBP-VQIMIIECSA-N 0 3 359.474 0.735 40 0 FCABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000003838651 487472686 /nfs/dbraw/zinc/47/26/86/487472686.db2.gz RFWDZGQDCGMZRD-OAGGEKHMSA-N 0 3 370.457 0.813 40 0 biogenic,in-vitro FCABHN CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@H]2CCCN2)n1 ZINC000019760720 487606645 /nfs/dbraw/zinc/60/66/45/487606645.db2.gz CHWZJWTVWJJBQK-CYBMUJFWSA-N 0 3 356.496 0.961 40 0 FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc(C)c1 ZINC000054112906 488218258 /nfs/dbraw/zinc/21/82/58/488218258.db2.gz SKRXTHMILLGYIN-CVEARBPZSA-N 0 3 358.442 0.949 40 0 FCABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218143585 488442760 /nfs/dbraw/zinc/44/27/60/488442760.db2.gz JIVZNEBULDJISC-OFQRWUPVSA-N 0 3 355.412 0.824 40 0 FCABHN CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000086053359 488452472 /nfs/dbraw/zinc/45/24/72/488452472.db2.gz ZVBPCOQJPAOXMI-HMEHDPIBSA-N 0 3 367.398 0.178 40 0 FCABHN OCCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257260159 488524891 /nfs/dbraw/zinc/52/48/91/488524891.db2.gz LBNJAJUNKZJBPO-LJQANCHMSA-N 0 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ZINC000020801521 521279714 /nfs/dbraw/zinc/27/97/14/521279714.db2.gz DYUHJOYMCBUMHL-HZPDHXFCSA-N 0 3 372.425 0.475 40 0 FCABHN Cn1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1=O ZINC000257258506 534733213 /nfs/dbraw/zinc/73/32/13/534733213.db2.gz KUHKDGOUIHJQLF-MRXNPFEDSA-N 0 3 355.385 0.693 40 0 FCABHN CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cscn3)C2)CC1 ZINC000257307486 526702339 /nfs/dbraw/zinc/70/23/39/526702339.db2.gz SYVAXFZGAPDQQE-MRXNPFEDSA-N 0 3 352.460 0.321 40 0 FCABHN CC(=O)Nc1cccc([C@@H]2CN(C(=O)CN)C[C@]23CCCCC(=O)N3)c1 ZINC000257298720 527079897 /nfs/dbraw/zinc/07/98/97/527079897.db2.gz RMZMUECEFZCZOJ-QFBILLFUSA-N 0 3 358.442 0.959 40 0 FCABHN CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 ZINC001772594946 1179981921 /nfs/dbraw/zinc/98/19/21/1179981921.db2.gz JKTBPEMABYEYIC-JFIYKMOQSA-N 0 3 363.506 0.435 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]21 ZINC000306131749 210054293 /nfs/dbraw/zinc/05/42/93/210054293.db2.gz KOSSYKBARAHEOB-HOTGVXAUSA-N 0 3 353.426 0.829 40 0 FCABHN Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@H](CN3CCCC3)C2)c1 ZINC000306131827 210054354 /nfs/dbraw/zinc/05/43/54/210054354.db2.gz KQJZYQIXUJYREN-CQSZACIVSA-N 0 3 350.448 0.458 40 0 FCABHN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000225005435 222825643 /nfs/dbraw/zinc/82/56/43/222825643.db2.gz SYDITXDPCRNWJJ-HNNXBMFYSA-N 0 3 357.476 0.918 40 0 FCABHN CN(C)S(=O)(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 ZINC000257217157 223024039 /nfs/dbraw/zinc/02/40/39/223024039.db2.gz CXTYCDWASFMYQL-IRXDYDNUSA-N 0 3 353.488 0.676 40 0 FCABHN O=C(CCn1cnnn1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257232835 223031005 /nfs/dbraw/zinc/03/10/05/223031005.db2.gz GMPZZYQHXBPLHG-SFHVURJKSA-N 0 3 356.430 0.085 40 0 FCABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC000257306558 223059540 /nfs/dbraw/zinc/05/95/40/223059540.db2.gz SUTUCDVXGKASOW-NCOADZHNSA-N 0 3 362.405 0.800 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674595 211293088 /nfs/dbraw/zinc/29/30/88/211293088.db2.gz DXYCHLKVKHZTMJ-HOTGVXAUSA-N 0 3 372.425 0.475 40 0 FCABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008254147 487515122 /nfs/dbraw/zinc/51/51/22/487515122.db2.gz FOGIODWSAMEWMU-JQHSSLGASA-N 0 3 370.457 0.235 40 0 biogenic,in-vitro FCABHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN(C)C ZINC000010111679 487531953 /nfs/dbraw/zinc/53/19/53/487531953.db2.gz CZJCFKOFBPHTRZ-UHFFFAOYSA-N 0 3 371.459 0.008 40 0 FCABHN CN1C[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1=O ZINC000072397266 488379769 /nfs/dbraw/zinc/37/97/69/488379769.db2.gz SNPQJXQRTZZUMY-ZIAGYGMSSA-N 0 3 357.458 0.649 40 0 FCABHN CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1 ZINC000077264187 488409723 /nfs/dbraw/zinc/40/97/23/488409723.db2.gz JEXGHJGKHJLHDO-FMKPAKJESA-N 0 3 367.471 0.207 40 0 biogenic,in-vitro FCABHN CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000107711857 488517899 /nfs/dbraw/zinc/51/78/99/488517899.db2.gz RARLMBGTZCGAGK-WMZOPIPTSA-N 0 3 350.463 0.896 40 0 FCABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O ZINC000514289002 490768863 /nfs/dbraw/zinc/76/88/63/490768863.db2.gz NEIJPRPRNJLVRS-FXUDXRNXSA-N 0 3 350.419 0.442 40 0 biogenic,in-vitro FCABHN COCCNC[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585284478 491721503 /nfs/dbraw/zinc/72/15/03/491721503.db2.gz FSXGPHVAMODBBF-RDJZCZTQSA-N 0 3 356.850 0.443 40 0 FCABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cscn3)C2)CC1 ZINC000257307485 526701871 /nfs/dbraw/zinc/70/18/71/526701871.db2.gz SYVAXFZGAPDQQE-INIZCTEOSA-N 0 3 352.460 0.321 40 0 FCABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008254273 571227081 /nfs/dbraw/zinc/22/70/81/571227081.db2.gz PIFXQERXDOOUPF-OIISXLGYSA-N 0 3 356.430 0.192 40 0 biogenic,in-vitro FCABHN O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCc1ccccc1 ZINC001549161512 1267840191 /nfs/dbraw/zinc/84/01/91/1267840191.db2.gz LNJGIMUOXGZMOE-IPMKNSEASA-N 0 3 373.457 0.028 40 0 FCABHN O=C(CN1CCCC1=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257313478 223062079 /nfs/dbraw/zinc/06/20/79/223062079.db2.gz USQZRTMEYSJXHS-HXUWFJFHSA-N 0 3 357.454 0.631 40 0 FCABHN NCc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257321188 223064356 /nfs/dbraw/zinc/06/43/56/223064356.db2.gz WANFLYFVPUYTKP-DOTOQJQBSA-N 0 3 351.410 0.864 40 0 FCABHN CC(C)(C)N1C[C@@H](C(=O)NCCCN2CCC(C(N)=O)CC2)CC1=O ZINC000019659819 220283907 /nfs/dbraw/zinc/28/39/07/220283907.db2.gz ZWSBURNDNCVPLH-AWEZNQCLSA-N 0 3 352.479 0.337 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1 ZINC000020636861 220337597 /nfs/dbraw/zinc/33/75/97/220337597.db2.gz WIYSVAUOZLWRKP-LSDHHAIUSA-N 0 3 358.398 0.167 40 0 FCABHN COCCNC(=O)[C@@H]1CCC[C@@H](NCc2cccnc2)CN(C)C(=O)C1 ZINC000096113441 222030991 /nfs/dbraw/zinc/03/09/91/222030991.db2.gz YMGIRXIZHWONJS-IAGOWNOFSA-N 0 3 362.474 0.951 40 0 biogenic,in-vitro FCABHN CN(C)CCN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2C1=O ZINC000096080625 222017464 /nfs/dbraw/zinc/01/74/64/222017464.db2.gz PCPKRLDJSMBRCR-CVEARBPZSA-N 0 3 351.472 0.468 40 0 FCABHN CN(C)CCOCc1nnn2c1CN(C(=O)C1CCOCC1)CCC2 ZINC000096084350 222018112 /nfs/dbraw/zinc/01/81/12/222018112.db2.gz JLLLRHZWHYIIBT-UHFFFAOYSA-N 0 3 351.451 0.515 40 0 FCABHN COCCN1CC[C@H](c2nnc3ccc(C(=O)N4CCN(C)CC4)cn32)C1 ZINC000096267485 222106729 /nfs/dbraw/zinc/10/67/29/222106729.db2.gz RUIVYCGBUXSHQG-HNNXBMFYSA-N 0 3 372.473 0.553 40 0 FCABHN CCN(CC)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 ZINC000096197557 222073681 /nfs/dbraw/zinc/07/36/81/222073681.db2.gz BASWISVBQFDIOH-UHFFFAOYSA-N 0 3 354.476 0.783 40 0 FCABHN O=C(NCCN1CCCC1)C1=NO[C@@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096225576 222087267 /nfs/dbraw/zinc/08/72/67/222087267.db2.gz AMTGXHFHUZTOKU-KRWDZBQOSA-N 0 3 362.409 0.553 40 0 FCABHN CN1CCN(S(=O)(=O)c2cncc(Cl)c2N2CCNCC2)CC1 ZINC000072210790 488379354 /nfs/dbraw/zinc/37/93/54/488379354.db2.gz GNAADYNAHVDGJE-UHFFFAOYSA-N 0 3 359.883 0.081 40 0 FCABHN O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[C@H](N2CCCC2)C1 ZINC000080155114 488434055 /nfs/dbraw/zinc/43/40/55/488434055.db2.gz INKOQSPFQPMKFU-KRWDZBQOSA-N 0 3 362.478 0.917 40 0 FCABHN O=C([C@@H]1C[C@@H]2CCN(CCN3CCCCC3)C[C@H]2O1)N1CCOCC1 ZINC000096042947 488488401 /nfs/dbraw/zinc/48/84/01/488488401.db2.gz UYMKMDPSQKQUPC-OKZBNKHCSA-N 0 3 351.491 0.811 40 0 FCABHN C[C@]1(N(CCN)S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000575424348 491553958 /nfs/dbraw/zinc/55/39/58/491553958.db2.gz KAUKNZBKOAJNEQ-ZDUSSCGKSA-N 0 3 366.892 0.867 40 0 FCABHN CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000585269629 491720366 /nfs/dbraw/zinc/72/03/66/491720366.db2.gz DMAIRSBFSQVHDV-PMACEKPBSA-N 0 3 363.502 0.894 40 0 FCABHN CN1CCN([C@H]2CCN(C(=O)CC3(O)CCCCC3)CC[C@@H]2O)CC1 ZINC000257331598 529776423 /nfs/dbraw/zinc/77/64/23/529776423.db2.gz XTNUTFAQEPSNRR-IRXDYDNUSA-N 0 3 353.507 0.671 40 0 FCABHN Cn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@@H]3C2)cn1 ZINC000306142427 223113366 /nfs/dbraw/zinc/11/33/66/223113366.db2.gz WZEKLWVTUAKFEG-ZIAGYGMSSA-N 0 3 355.446 0.598 40 0 FCABHN CN1CCN(CCCN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)CC1 ZINC000019364786 220253479 /nfs/dbraw/zinc/25/34/79/220253479.db2.gz HVAVMBNEEOXCRG-UHFFFAOYSA-N 0 3 371.485 0.226 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801443 220342029 /nfs/dbraw/zinc/34/20/29/220342029.db2.gz SKRXTHMILLGYIN-HOTGVXAUSA-N 0 3 358.442 0.949 40 0 FCABHN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC1CCN(C)CC1)O2 ZINC000113952941 132247103 /nfs/dbraw/zinc/24/71/03/132247103.db2.gz XWLVGBKQJJKXPS-INIZCTEOSA-N 0 3 367.471 0.732 40 0 FCABHN COc1ccccc1N(CCCC(=O)NCCN(C)C)S(C)(=O)=O ZINC000225806452 488451489 /nfs/dbraw/zinc/45/14/89/488451489.db2.gz AXRJOAWHZFALRJ-UHFFFAOYSA-N 0 3 357.476 0.919 40 0 FCABHN CCOC(=O)N1CCC(O)(CN2C[C@@H]3CCCN3C[C@@H]2CCO)CC1 ZINC000585282208 491720941 /nfs/dbraw/zinc/72/09/41/491720941.db2.gz BQVTWOFMYINNMP-HOTGVXAUSA-N 0 3 355.479 0.501 40 0 FCABHN CC(C)N1CCN(C[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)CC1 ZINC000585285669 491721435 /nfs/dbraw/zinc/72/14/35/491721435.db2.gz RSYVSBQUUZDMJB-AZUAARDMSA-N 0 3 361.486 0.651 40 0 FCABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccccn3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382133 492059468 /nfs/dbraw/zinc/05/94/68/492059468.db2.gz GUPBJMZAHPVHQO-NCXUSEDFSA-N 0 3 372.469 0.751 40 0 biogenic,in-vitro FCABHN CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCC2)cc1 ZINC000020465016 522151791 /nfs/dbraw/zinc/15/17/91/522151791.db2.gz AUJPTFLTLBOBOT-VSZNYVQBSA-N 0 3 363.458 0.067 40 0 biogenic,in-vitro FCABHN CN(C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044910149 535888179 /nfs/dbraw/zinc/88/81/79/535888179.db2.gz IGJLNPFGVQSCFB-CYBMUJFWSA-N 0 3 361.851 0.545 40 0 FCABHN CN(C)CCN1CC[C@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O ZINC000585093419 546524059 /nfs/dbraw/zinc/52/40/59/546524059.db2.gz VQMCQRHHELFUIL-HNNXBMFYSA-N 0 3 356.373 0.936 40 0 FCABHN COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2cccc(Cl)c2)nn1 ZINC001549159252 1267838762 /nfs/dbraw/zinc/83/87/62/1267838762.db2.gz VMXSZUIYWJDTSP-ARFHVFGLSA-N 0 3 352.822 0.996 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3ccccn3)C[C@@H]21 ZINC000306139408 223112642 /nfs/dbraw/zinc/11/26/42/223112642.db2.gz SWOHFBWQSCKRHO-GDBMZVCRSA-N 0 3 353.426 0.829 40 0 FCABHN C[C@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCOCC1 ZINC000019078111 220235240 /nfs/dbraw/zinc/23/52/40/220235240.db2.gz BQENWKLWLYAFIA-CQSZACIVSA-N 0 3 359.474 0.549 40 0 FCABHN COCCN1CCOC[C@]2(CC[C@H](CNC(=O)c3ccnnc3)O2)C1 ZINC000096063496 222009081 /nfs/dbraw/zinc/00/90/81/222009081.db2.gz FRXVCEOXQZVENY-WBVHZDCISA-N 0 3 350.419 0.103 40 0 FCABHN COCCN1CCOC[C@@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC000096160611 222060224 /nfs/dbraw/zinc/06/02/24/222060224.db2.gz XPPIAEUUVCBYON-RHSMWYFYSA-N 0 3 350.419 0.103 40 0 FCABHN O=C(NCCN1CCCC1)C1=NO[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096225577 222087239 /nfs/dbraw/zinc/08/72/39/222087239.db2.gz AMTGXHFHUZTOKU-QGZVFWFLSA-N 0 3 362.409 0.553 40 0 FCABHN Cn1c2nc(N3CCNCC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000008701220 487520667 /nfs/dbraw/zinc/52/06/67/487520667.db2.gz QHSFDOLSCFUEQS-UHFFFAOYSA-N 0 3 372.404 0.031 40 0 FCABHN OC[C@@H](O)CNC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000077262878 488409966 /nfs/dbraw/zinc/40/99/66/488409966.db2.gz PLJGGNIHSOVIFN-LSTDLKDCSA-N 0 3 362.426 0.735 40 0 biogenic,in-vitro FCABHN O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000080155117 488433801 /nfs/dbraw/zinc/43/38/01/488433801.db2.gz INKOQSPFQPMKFU-QGZVFWFLSA-N 0 3 362.478 0.917 40 0 FCABHN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)cc1OC ZINC000223875276 488449369 /nfs/dbraw/zinc/44/93/69/488449369.db2.gz ZFYPHQQMIZDYSZ-UHFFFAOYSA-N 0 3 359.448 0.002 40 0 FCABHN Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C[C@H]4CCOC4)C3)C2)cn1 ZINC000107788862 488518548 /nfs/dbraw/zinc/51/85/48/488518548.db2.gz ADCBHCQOIVUQIB-RDTXWAMCSA-N 0 3 359.430 0.659 40 0 FCABHN Cn1cnc(C(=O)N2CCC[C@]3(CCN(CC4CCN(C)CC4)C3=O)C2)n1 ZINC000585100984 491719278 /nfs/dbraw/zinc/71/92/78/491719278.db2.gz QPWFHHIEBOKJCQ-IBGZPJMESA-N 0 3 374.489 0.612 40 0 FCABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCC(O)CC2)C1 ZINC000585285855 491721408 /nfs/dbraw/zinc/72/14/08/491721408.db2.gz UOXDGTZKAFTQNC-FUHWJXTLSA-N 0 3 368.861 0.735 40 0 FCABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(O)CC2)[C@@H](O)C1 ZINC000585283264 491721467 /nfs/dbraw/zinc/72/14/67/491721467.db2.gz DUDJQZBZQWGBHN-WMZOPIPTSA-N 0 3 368.861 0.735 40 0 FCABHN O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257247322 534767849 /nfs/dbraw/zinc/76/78/49/534767849.db2.gz IYLOSZZQTKEVDS-AWEZNQCLSA-N 0 3 358.345 0.196 40 0 FCABHN CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cncs3)C2)CC1 ZINC000257304844 526702058 /nfs/dbraw/zinc/70/20/58/526702058.db2.gz SNJONHDTGCNRPB-MRXNPFEDSA-N 0 3 352.460 0.321 40 0 FCABHN CC(=O)NCC(=O)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257339287 526717328 /nfs/dbraw/zinc/71/73/28/526717328.db2.gz ZBBULVAUKXYRNH-FQEVSTJZSA-N 0 3 359.470 0.924 40 0 FCABHN CN(C)CCN1CC[C@@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O ZINC000585093420 546524113 /nfs/dbraw/zinc/52/41/13/546524113.db2.gz VQMCQRHHELFUIL-OAHLLOKOSA-N 0 3 356.373 0.936 40 0 FCABHN CN(c1ccccc1C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022829730 530036775 /nfs/dbraw/zinc/03/67/75/530036775.db2.gz FQPZEWKDJQIDQL-UHFFFAOYSA-N 0 3 368.503 0.450 40 0 FCABHN COCCN1CC[C@H](CNS(=O)(=O)c2cnn(C(F)F)c2C)C1 ZINC000019553107 220270592 /nfs/dbraw/zinc/27/05/92/220270592.db2.gz KEQUDUXXFSMRGZ-LLVKDONJSA-N 0 3 352.407 0.833 40 0 FCABHN Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCCN4CCCC4)O[C@@H]3C2)nn1 ZINC000096066194 132218097 /nfs/dbraw/zinc/21/80/97/132218097.db2.gz MYQIEMFUZNKZQH-YESZJQIVSA-N 0 3 359.474 0.981 40 0 FCABHN Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 ZINC000224315919 132283106 /nfs/dbraw/zinc/28/31/06/132283106.db2.gz SIPMRZSBOJGGAP-UHFFFAOYSA-N 0 3 366.447 0.658 40 0 FCABHN Cn1cc(CN2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)cn1 ZINC000096056221 222005843 /nfs/dbraw/zinc/00/58/43/222005843.db2.gz 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COC[C@@H]1CN(CCc2ccccc2)CCN(S(=O)(=O)N(C)C)C1 ZINC000247967370 488492039 /nfs/dbraw/zinc/49/20/39/488492039.db2.gz SXQAENCUSMLIHO-QGZVFWFLSA-N 0 3 355.504 0.916 40 0 FCABHN COc1ccc(C(=O)CN(CCN)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000575420516 491553347 /nfs/dbraw/zinc/55/33/47/491553347.db2.gz BKXDIICLMUUUAX-CYBMUJFWSA-N 0 3 356.444 0.334 40 0 FCABHN CCCCN1CCC[C@@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 ZINC000585101227 491719723 /nfs/dbraw/zinc/71/97/23/491719723.db2.gz PEWOWFATQLNSEH-QGZVFWFLSA-N 0 3 351.451 0.539 40 0 FCABHN CC(C)N(CCO)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585291357 491721850 /nfs/dbraw/zinc/72/18/50/491721850.db2.gz OBTHRQBLECRBAR-AEFFLSMTSA-N 0 3 370.877 0.519 40 0 FCABHN Cc1cc2ncc(C(=O)NC[C@@H]3CC[C@H](CC(=O)N(C)C)N3C)c(N)n2n1 ZINC000257329084 534135840 /nfs/dbraw/zinc/13/58/40/534135840.db2.gz XIIGUHKECPBAQX-OLZOCXBDSA-N 0 3 373.461 0.291 40 0 FCABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801529 521281147 /nfs/dbraw/zinc/28/11/47/521281147.db2.gz DYUHJOYMCBUMHL-CVEARBPZSA-N 0 3 372.425 0.475 40 0 FCABHN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)C1CCN(C)CC1)CC2 ZINC000257224933 526525298 /nfs/dbraw/zinc/52/52/98/526525298.db2.gz FEAJISIACAKYMI-SFHVURJKSA-N 0 3 351.491 0.940 40 0 FCABHN CC(=O)N1CC2(C[C@]1(C)CO)CCN(C(=O)C1CCN(C)CC1)CC2 ZINC000257224932 526525333 /nfs/dbraw/zinc/52/53/33/526525333.db2.gz FEAJISIACAKYMI-GOSISDBHSA-N 0 3 351.491 0.940 40 0 FCABHN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257318646 526591624 /nfs/dbraw/zinc/59/16/24/526591624.db2.gz VOWGFTOSFOQODH-GOEBONIOSA-N 0 3 359.417 0.692 40 0 FCABHN CC[C@@H]1CN(C(=O)C2CCOCC2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 ZINC001772594897 1179978674 /nfs/dbraw/zinc/97/86/74/1179978674.db2.gz FCZDZFHYRXMRDN-KBAYOESNSA-N 0 3 353.507 0.506 40 0 FCABHN CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCN(C)CC1 ZINC001772595002 1179994581 /nfs/dbraw/zinc/99/45/81/1179994581.db2.gz OGFGIKPFOHPPCN-BRWVUGGUSA-N 0 3 364.490 0.998 40 0 FCABHN CN1CCN(CC(=O)NC2CCN(CCc3ccccc3)CC2)CC1=O ZINC000333121730 215237682 /nfs/dbraw/zinc/23/76/82/215237682.db2.gz HDTFQCYMVJJJAW-UHFFFAOYSA-N 0 3 358.486 0.584 40 0 FCABHN O=C(NC[C@H]1Cn2nccc2CN(C2CCOCC2)C1)c1ccnnc1 ZINC000306133166 223109535 /nfs/dbraw/zinc/10/95/35/223109535.db2.gz MDWFNZADMSLOAU-CQSZACIVSA-N 0 3 356.430 0.714 40 0 FCABHN C[C@@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCOCC1 ZINC000019078113 220235315 /nfs/dbraw/zinc/23/53/15/220235315.db2.gz BQENWKLWLYAFIA-AWEZNQCLSA-N 0 3 359.474 0.549 40 0 FCABHN CN1C[C@@H](C(=O)N2CCN(C)CC2)[C@]2(C1)COc1ccc(F)cc1C2=O ZINC000019589770 220278740 /nfs/dbraw/zinc/27/87/40/220278740.db2.gz MONAHXOIYMCNEA-KXBFYZLASA-N 0 3 361.417 0.723 40 0 FCABHN Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019662617 220282915 /nfs/dbraw/zinc/28/29/15/220282915.db2.gz GQPLJKJHFPQQOA-UHFFFAOYSA-N 0 3 373.457 0.734 40 0 FCABHN CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCCN(C)C ZINC000096113034 222031650 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CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc(OCCN(C)C)cc2)[C@@H]1O ZINC000585286069 491721449 /nfs/dbraw/zinc/72/14/49/491721449.db2.gz ITIXLPMTDVWTEN-ZACQAIPSSA-N 0 3 352.431 0.474 40 0 FCABHN OC1(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CCOCC1 ZINC000585284098 491721493 /nfs/dbraw/zinc/72/14/93/491721493.db2.gz UZTYBQHMVPGUQI-GOSISDBHSA-N 0 3 373.396 0.948 40 0 FCABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccccn2)C1 ZINC000585290769 491721691 /nfs/dbraw/zinc/72/16/91/491721691.db2.gz DXWKRVHUQCSRKI-CTNGQTDRSA-N 0 3 369.465 0.781 40 0 FCABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccccc2)C1 ZINC000585291837 491721717 /nfs/dbraw/zinc/72/17/17/491721717.db2.gz UBDPIBUMVJHUGW-MSOLQXFVSA-N 0 3 362.451 0.573 40 0 FCABHN COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)c2ccccc2)O[C@@H](CO)[C@H]1O ZINC000020465276 522834461 /nfs/dbraw/zinc/83/44/61/522834461.db2.gz OLOIPKJEUACZCZ-DFBDCSAJSA-N 0 3 364.442 0.016 40 0 biogenic,in-vitro FCABHN CC(=O)NCc1cnc(CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000257305643 526815372 /nfs/dbraw/zinc/81/53/72/526815372.db2.gz SQWLJLOBLSEHAJ-GOSISDBHSA-N 0 3 359.474 0.988 40 0 FCABHN CCOC(=O)C1=C(C)NCCNC(C)=C(C(=O)OCC)C=NCCN=C1 ZINC000367762263 528620442 /nfs/dbraw/zinc/62/04/42/528620442.db2.gz GXINZBWOYMAMNA-UHFFFAOYSA-N 0 3 364.446 0.995 40 0 FCABHN Cc1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)[nH]c(=O)n1 ZINC000257250036 223037170 /nfs/dbraw/zinc/03/71/70/223037170.db2.gz JKSOQNVFPILXBG-HNNXBMFYSA-N 0 3 356.373 0.799 40 0 FCABHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCNC(=O)c2cncc([O-])c2)CC1 ZINC000257306577 223059273 /nfs/dbraw/zinc/05/92/73/223059273.db2.gz SUXFWFPFRXEVIP-GOSISDBHSA-N 0 3 364.446 0.212 40 0 FCABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]21 ZINC000306131748 223108478 /nfs/dbraw/zinc/10/84/78/223108478.db2.gz KOSSYKBARAHEOB-CVEARBPZSA-N 0 3 353.426 0.829 40 0 FCABHN Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(Cc2cccnc2)C1 ZINC000306129414 223109105 /nfs/dbraw/zinc/10/91/05/223109105.db2.gz ICGXEAQJPMMWFH-LJQANCHMSA-N 0 3 363.425 0.981 40 0 FCABHN 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3 355.442 0.909 40 0 FCABHN CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(CNC)cc(NC)n1 ZINC000019759681 220294891 /nfs/dbraw/zinc/29/48/91/220294891.db2.gz XWAGXOPSGUIGEP-CYBMUJFWSA-N 0 3 356.496 0.961 40 0 FCABHN CNC(=O)[C@@H](c1cccc(O)c1)N1CCC[C@H]1C(=O)N(C)CCN(C)C ZINC000096113054 222031096 /nfs/dbraw/zinc/03/10/96/222031096.db2.gz PZOWNIYRXCECEP-DLBZAZTESA-N 0 3 362.474 0.664 40 0 biogenic,in-vitro FCABHN COCCN1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC000096160609 222060033 /nfs/dbraw/zinc/06/00/33/222060033.db2.gz XPPIAEUUVCBYON-PBHICJAKSA-N 0 3 350.419 0.103 40 0 FCABHN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCN(C)CC1 ZINC000022822209 229148562 /nfs/dbraw/zinc/14/85/62/229148562.db2.gz YOEDLCDOKHRWAW-UHFFFAOYSA-N 0 3 368.503 0.734 40 0 FCABHN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN(C)C ZINC000010111678 263363149 /nfs/dbraw/zinc/36/31/49/263363149.db2.gz YDJHXCLPEHTPNR-UHFFFAOYSA-N 0 3 355.460 0.771 40 0 FCABHN N[C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000001616445 487470099 /nfs/dbraw/zinc/47/00/99/487470099.db2.gz YWFZWSSERWXERI-HDICACEKSA-N 0 3 354.454 0.359 40 0 FCABHN COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)ccc1O ZINC000012113451 487548807 /nfs/dbraw/zinc/54/88/07/487548807.db2.gz MJKXXIGEVLZTLP-KRWDZBQOSA-N 0 3 372.425 0.947 40 0 FCABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218143322 488442868 /nfs/dbraw/zinc/44/28/68/488442868.db2.gz JIVZNEBULDJISC-YCPHGPKFSA-N 0 3 355.412 0.824 40 0 FCABHN CN1CC[C@@H](NC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175195054 488853391 /nfs/dbraw/zinc/85/33/91/488853391.db2.gz BURXIOYPPHCHQV-QZTJIDSGSA-N 0 3 374.485 0.962 40 0 FCABHN CC(=O)N1CCCN(C[C@@H]2OC[C@H](NCc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514288434 490768986 /nfs/dbraw/zinc/76/89/86/490768986.db2.gz FHPDAHAPKJUXPK-GBESFXJTSA-N 0 3 365.449 0.598 40 0 biogenic,in-vitro FCABHN COc1ccc(C(=O)CN(CCN)[C@]2(C)CCS(=O)(=O)C2)cc1OC ZINC000575421503 491553437 /nfs/dbraw/zinc/55/34/37/491553437.db2.gz ITYDUEJZEZFLIR-QGZVFWFLSA-N 0 3 370.471 0.724 40 0 FCABHN OC1(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCOCC1 ZINC000585284105 491721336 /nfs/dbraw/zinc/72/13/36/491721336.db2.gz UZTYBQHMVPGUQI-SFHVURJKSA-N 0 3 373.396 0.948 40 0 FCABHN CNC(=O)[C@@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1 ZINC000585283393 491721488 /nfs/dbraw/zinc/72/14/88/491721488.db2.gz NZWJRNJCNBTEGC-CQSZACIVSA-N 0 3 361.508 0.011 40 0 FCABHN Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C[C@@H](N)c3cccnc3)CC1)O2 ZINC000257230877 534748399 /nfs/dbraw/zinc/74/83/99/534748399.db2.gz GEHZCWQKDOSABZ-CYBMUJFWSA-N 0 3 369.429 0.422 40 0 FCABHN O=S(=O)(c1cn[n-]c1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257218104 534875010 /nfs/dbraw/zinc/87/50/10/534875010.db2.gz DBXGWXYOJYROCK-GFCCVEGCSA-N 0 3 350.391 0.266 40 0 FCABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298377 560108352 /nfs/dbraw/zinc/10/83/52/560108352.db2.gz SFPGEGRAOLONHQ-BNOWGMLFSA-N 0 3 362.459 0.619 40 0 biogenic,in-vitro FCABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2cnn(C)c2C)c1 ZINC000257213273 529951086 /nfs/dbraw/zinc/95/10/86/529951086.db2.gz CGVVFPRZVBQSEQ-KRWDZBQOSA-N 0 3 370.457 0.673 40 0 FCABHN O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O)NC1CC1 ZINC000015675312 220158746 /nfs/dbraw/zinc/15/87/46/220158746.db2.gz OLKBUFNZMJNXEN-HDEZJCGLSA-N 0 3 354.834 0.588 40 0 biogenic,in-vitro FCABHN Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@@H]3CCCN(C)C3)c2=O)no1 ZINC000019750129 220294002 /nfs/dbraw/zinc/29/40/02/220294002.db2.gz OUMUBGYXMBUCHN-CYBMUJFWSA-N 0 3 373.413 0.607 40 0 FCABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801435 220342150 /nfs/dbraw/zinc/34/21/50/220342150.db2.gz SKRXTHMILLGYIN-JKSUJKDBSA-N 0 3 358.442 0.949 40 0 FCABHN CC(=O)N1CCc2nc(C3CCN(CCN4CCOCC4)CC3)ncc2C1 ZINC000023089291 220410069 /nfs/dbraw/zinc/41/00/69/220410069.db2.gz XEOJQRIQZOKNJM-UHFFFAOYSA-N 0 3 373.501 0.893 40 0 FCABHN CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000096112993 222030905 /nfs/dbraw/zinc/03/09/05/222030905.db2.gz PKQJTWNRVQAHPA-DLBZAZTESA-N 0 3 350.507 0.920 40 0 biogenic,in-vitro FCABHN COc1ccc(CN2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)N(C)[C@@H]3C2)cc1 ZINC000096054222 222002623 /nfs/dbraw/zinc/00/26/23/222002623.db2.gz NHHJMZUOPCCOEU-YSIASYRMSA-N 0 3 372.513 0.974 40 0 FCABHN CCOC(=O)[C@@]12CN(CCN(C)C)C[C@@H]1CN(S(C)(=O)=O)CCC2 ZINC000096083034 222016401 /nfs/dbraw/zinc/01/64/01/222016401.db2.gz YSLLECGCLDAFAM-ZBFHGGJFSA-N 0 3 361.508 0.085 40 0 FCABHN CNC(=O)CN1CC2(CCN(C)CC2)COc2ccccc2S1(=O)=O ZINC000096091316 222019930 /nfs/dbraw/zinc/01/99/30/222019930.db2.gz DKRGUBNQZGMCBR-UHFFFAOYSA-N 0 3 367.471 0.528 40 0 FCABHN CC(C)C[C@@H](N)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 ZINC000012220130 487550812 /nfs/dbraw/zinc/55/08/12/487550812.db2.gz LYVFJYVDRCCZPK-KSMMKXTCSA-N 0 3 358.442 0.959 40 0 FCABHN CCn1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cn1 ZINC000019524992 487604552 /nfs/dbraw/zinc/60/45/52/487604552.db2.gz WFADINPYCGUDQI-UHFFFAOYSA-N 0 3 358.446 0.836 40 0 FCABHN CCn1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cn1 ZINC000019524992 487604556 /nfs/dbraw/zinc/60/45/56/487604556.db2.gz WFADINPYCGUDQI-UHFFFAOYSA-N 0 3 358.446 0.836 40 0 FCABHN CCn1cc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cn1 ZINC000019524992 487604559 /nfs/dbraw/zinc/60/45/59/487604559.db2.gz WFADINPYCGUDQI-UHFFFAOYSA-N 0 3 358.446 0.836 40 0 FCABHN CC(=O)N[C@]12CN(C(=O)c3ccc4c(c3)OCCO4)C[C@H]1CN(C)CC2 ZINC000019713024 487607042 /nfs/dbraw/zinc/60/70/42/487607042.db2.gz UNJXRVUQMNYCNK-DNVCBOLYSA-N 0 3 359.426 0.740 40 0 FCABHN CN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000023421692 487636413 /nfs/dbraw/zinc/63/64/13/487636413.db2.gz OWZSTFTVPBXAJH-UHFFFAOYSA-N 0 3 367.471 0.532 40 0 FCABHN O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(C4CCOCC4)C3)N2C1 ZINC000514290125 490769062 /nfs/dbraw/zinc/76/90/62/490769062.db2.gz UAHJNZLUOTXNJN-RTBURBONSA-N 0 3 358.486 0.566 40 0 biogenic,in-vitro FCABHN CN(C)CCN1CC[C@]2(CCCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000585101046 491719700 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O=S(=O)(c1cn[n-]c1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257218105 534875057 /nfs/dbraw/zinc/87/50/57/534875057.db2.gz DBXGWXYOJYROCK-LBPRGKRZSA-N 0 3 350.391 0.266 40 0 FCABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)OCCS(=O)(=O)N3CC(C)C)CC1 ZINC001534645863 1267266864 /nfs/dbraw/zinc/26/68/64/1267266864.db2.gz MTRWNWHIJNSSNP-SJORKVTESA-N 0 3 373.519 0.368 40 0 FCABHN