smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)CN(C)C)c(Cl)c2)cc1Cl ZINC000001213818 551625607 /nfs/dbraw/zinc/62/56/07/551625607.db2.gz IODCNPPFMILXEB-IYBDPMFKSA-N 0 3 521.463 2.429 50 0 KEAAHN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)n[nH]1 ZINC000002968609 552241398 /nfs/dbraw/zinc/24/13/98/552241398.db2.gz OYFBNSRCWVQCDM-SFHVURJKSA-N 0 3 545.581 2.484 50 0 KEAAHN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)n[nH]1 ZINC000002968612 552241437 /nfs/dbraw/zinc/24/14/37/552241437.db2.gz OYFBNSRCWVQCDM-GOSISDBHSA-N 0 3 545.581 2.484 50 0 KEAAHN CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000003978005 552424492 /nfs/dbraw/zinc/42/44/92/552424492.db2.gz LUZRJRNZXALNLM-JGRZULCMSA-N 0 3 583.689 2.081 50 0 fda KEAAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C(C)(C)N1 ZINC000004177863 552445875 /nfs/dbraw/zinc/44/58/75/552445875.db2.gz JXCFWDPCIFVEOR-UHFFFAOYSA-N 0 3 506.650 2.280 50 0 KEAAHN CN(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583202 553078933 /nfs/dbraw/zinc/07/89/33/553078933.db2.gz QXNSBADHSJTMCE-IBGZPJMESA-N 0 3 509.426 2.088 50 0 KEAAHN CN(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583203 553078890 /nfs/dbraw/zinc/07/88/90/553078890.db2.gz QXNSBADHSJTMCE-LJQANCHMSA-N 0 3 509.426 2.088 50 0 KEAAHN CCCCN(CCCC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000008596678 553090949 /nfs/dbraw/zinc/09/09/49/553090949.db2.gz WBGZHCPIVYCALM-UHFFFAOYSA-N 0 3 506.669 2.191 50 0 KEAAHN COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC ZINC000008791884 553147284 /nfs/dbraw/zinc/14/72/84/553147284.db2.gz CNPITRYIWYMFMA-QFIPXVFZSA-N 0 3 533.629 2.440 50 0 biogenic KEAAHN CN(CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Cc1ccccc1 ZINC000008812729 553150059 /nfs/dbraw/zinc/15/00/59/553150059.db2.gz ZSFWADBMENEWDI-UHFFFAOYSA-N 0 3 502.662 2.158 50 0 KEAAHN O=S(=O)(c1ccc(OC[C@H](O)CN2CCCC2)cc1)c1ccc(OC[C@@H](O)CN2CCCC2)cc1 ZINC000008837578 553164036 /nfs/dbraw/zinc/16/40/36/553164036.db2.gz YQZZOJQXOBJQSE-SZPZYZBQSA-N 0 3 504.649 2.190 50 0 KEAAHN Cn1c2nc(N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)n(CC(=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000009272750 553232049 /nfs/dbraw/zinc/23/20/49/553232049.db2.gz SVWMGGPNCILVLW-UHFFFAOYSA-N 0 3 516.646 2.407 50 0 KEAAHN COc1ccccc1CN1CCC(CNC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000009610436 553288467 /nfs/dbraw/zinc/28/84/67/553288467.db2.gz WQVAUZJZECFWRI-UHFFFAOYSA-N 0 3 507.635 2.219 50 0 KEAAHN CC(C)N(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)Cc1ccccc1 ZINC000009724747 553301506 /nfs/dbraw/zinc/30/15/06/553301506.db2.gz XMXJIYNJJVFDPL-UHFFFAOYSA-N 0 3 526.659 2.200 50 0 KEAAHN CN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1)Cc1ccccc1 ZINC000009856339 553313592 /nfs/dbraw/zinc/31/35/92/553313592.db2.gz ZJXLWMDLPSYETD-FQEVSTJZSA-N 0 3 500.621 2.171 50 0 KEAAHN CN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1)Cc1ccccc1 ZINC000009856342 553313528 /nfs/dbraw/zinc/31/35/28/553313528.db2.gz ZJXLWMDLPSYETD-HXUWFJFHSA-N 0 3 500.621 2.171 50 0 KEAAHN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)cc2oc1=O ZINC000009856431 553313575 /nfs/dbraw/zinc/31/35/75/553313575.db2.gz FSLQTBIWNSCGPQ-UHFFFAOYSA-N 0 3 512.632 2.313 50 0 KEAAHN COc1cc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)cc(OC)c1OC ZINC000011812846 1066359968 /nfs/dbraw/zinc/35/99/68/1066359968.db2.gz JDJTXWRDILIBHQ-QHCPKHFHSA-N 0 3 540.661 2.260 50 0 KEAAHN COc1cc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)cc(OC)c1OC ZINC000011812848 1066360216 /nfs/dbraw/zinc/36/02/16/1066360216.db2.gz JDJTXWRDILIBHQ-HSZRJFAPSA-N 0 3 540.661 2.260 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000011910205 1066358744 /nfs/dbraw/zinc/35/87/44/1066358744.db2.gz RLAYDVWRDQOCKQ-VWLOTQADSA-N 0 3 533.673 2.361 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000011910206 1066358663 /nfs/dbraw/zinc/35/86/63/1066358663.db2.gz RLAYDVWRDQOCKQ-RUZDIDTESA-N 0 3 533.673 2.361 50 0 KEAAHN COc1cc(OC)cc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)c1 ZINC000011973390 1066360038 /nfs/dbraw/zinc/36/00/38/1066360038.db2.gz ASHOAOOWGJFGAU-QHCPKHFHSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1cc(OC)cc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)c1 ZINC000011973401 1066360135 /nfs/dbraw/zinc/36/01/35/1066360135.db2.gz ASHOAOOWGJFGAU-HSZRJFAPSA-N 0 3 510.635 2.251 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000011974887 1066358592 /nfs/dbraw/zinc/35/85/92/1066358592.db2.gz ARJOEAWXQFRJDA-IBGZPJMESA-N 0 3 527.112 2.497 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000011974894 1066360073 /nfs/dbraw/zinc/36/00/73/1066360073.db2.gz ARJOEAWXQFRJDA-LJQANCHMSA-N 0 3 527.112 2.497 50 0 KEAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(=O)[nH]2)C1 ZINC000012052626 553350600 /nfs/dbraw/zinc/35/06/00/553350600.db2.gz CLHYESRFUUGURR-JOCHJYFZSA-N 0 3 515.699 2.220 50 0 KEAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(=O)[nH]2)C1 ZINC000012052630 553350714 /nfs/dbraw/zinc/35/07/14/553350714.db2.gz CLHYESRFUUGURR-QFIPXVFZSA-N 0 3 515.699 2.220 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000012209959 1066359676 /nfs/dbraw/zinc/35/96/76/1066359676.db2.gz KQHSKHCVZBEMGA-QFIPXVFZSA-N 0 3 521.083 2.436 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000012209968 1066359888 /nfs/dbraw/zinc/35/98/88/1066359888.db2.gz KQHSKHCVZBEMGA-JOCHJYFZSA-N 0 3 521.083 2.436 50 0 KEAAHN COc1ccc(CCNCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OC ZINC000012564038 553396011 /nfs/dbraw/zinc/39/60/11/553396011.db2.gz GQBJEUVSXGJSHX-UHFFFAOYSA-N 0 3 532.663 2.096 50 0 KEAAHN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000013758042 553488558 /nfs/dbraw/zinc/48/85/58/553488558.db2.gz VEUNLDFQNOXKHA-UHFFFAOYSA-N 0 3 515.611 2.106 50 0 KEAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)CN(Cc2ccc(O)cc2)C1 ZINC000014537083 553518157 /nfs/dbraw/zinc/51/81/57/553518157.db2.gz ILOLRFNWUCDMIU-LOSJGSFVSA-N 0 3 506.647 2.406 50 0 KEAAHN COc1ccc(CN2C[C@H](C(=O)NCCN3CCOCC3)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014540108 553518552 /nfs/dbraw/zinc/51/85/52/553518552.db2.gz JDGKADFCQYARPL-BJKOFHAPSA-N 0 3 512.651 2.373 50 0 KEAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCN3CCOCC3)C2)cc1OC ZINC000014741647 553519622 /nfs/dbraw/zinc/51/96/22/553519622.db2.gz QDVTYYDBQGLSQK-FCHUYYIVSA-N 0 3 528.625 2.368 50 0 KEAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)CN(Cc2ccncc2)C1 ZINC000014743436 553519894 /nfs/dbraw/zinc/51/98/94/553519894.db2.gz WBHJJTCSYUPXCD-IZZNHLLZSA-N 0 3 505.663 2.486 50 0 KEAAHN COc1ccc(CN2C[C@H](C(=O)NCCN3CCNC3=O)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014744141 553519880 /nfs/dbraw/zinc/51/98/80/553519880.db2.gz PVAPNIXLDNNTMB-FCHUYYIVSA-N 0 3 511.623 2.066 50 0 KEAAHN CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000014880002 553520761 /nfs/dbraw/zinc/52/07/61/553520761.db2.gz LUZRJRNZXALNLM-VWVCNJKPSA-N 0 3 583.689 2.081 50 0 world KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014954243 1066426097 /nfs/dbraw/zinc/42/60/97/1066426097.db2.gz XWIDSRQUBHVTNA-FQEVSTJZSA-N 0 3 522.618 2.061 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014954248 1066426280 /nfs/dbraw/zinc/42/62/80/1066426280.db2.gz XWIDSRQUBHVTNA-HXUWFJFHSA-N 0 3 522.618 2.061 50 0 KEAAHN COc1ccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)c(OC)c1 ZINC000014959209 553522370 /nfs/dbraw/zinc/52/23/70/553522370.db2.gz WLDBTEVZQPNWGY-QFIPXVFZSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1ccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)c(OC)c1 ZINC000014959215 553522399 /nfs/dbraw/zinc/52/23/99/553522399.db2.gz WLDBTEVZQPNWGY-JOCHJYFZSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1ccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)cc1OC ZINC000014962103 553522682 /nfs/dbraw/zinc/52/26/82/553522682.db2.gz TUZZCWRJFSTWFK-QHCPKHFHSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1ccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)cc1OC ZINC000014962108 553522647 /nfs/dbraw/zinc/52/26/47/553522647.db2.gz TUZZCWRJFSTWFK-HSZRJFAPSA-N 0 3 510.635 2.251 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014986808 1066426297 /nfs/dbraw/zinc/42/62/97/1066426297.db2.gz IURGGVBAQRWCLF-QFIPXVFZSA-N 0 3 521.083 2.436 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014986809 1066359732 /nfs/dbraw/zinc/35/97/32/1066359732.db2.gz IURGGVBAQRWCLF-JOCHJYFZSA-N 0 3 521.083 2.436 50 0 KEAAHN COc1ccc(OC)c(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)c1 ZINC000014989293 553523791 /nfs/dbraw/zinc/52/37/91/553523791.db2.gz MONMCDLCAKJEDL-QFIPXVFZSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1ccc(OC)c(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)c1 ZINC000014989296 553523910 /nfs/dbraw/zinc/52/39/10/553523910.db2.gz MONMCDLCAKJEDL-JOCHJYFZSA-N 0 3 510.635 2.251 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014991088 1066426553 /nfs/dbraw/zinc/42/65/53/1066426553.db2.gz ALUZYAJASBWOOW-VWLOTQADSA-N 0 3 533.673 2.361 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014991090 1066426229 /nfs/dbraw/zinc/42/62/29/1066426229.db2.gz ALUZYAJASBWOOW-RUZDIDTESA-N 0 3 533.673 2.361 50 0 KEAAHN Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCOc2cccc(CN(C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000014993677 1066426393 /nfs/dbraw/zinc/42/63/93/1066426393.db2.gz GQAMRZZDBAEPFX-QHCPKHFHSA-N 0 3 518.655 2.230 50 0 KEAAHN Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCOc2cccc(CN(C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000014993680 1066426437 /nfs/dbraw/zinc/42/64/37/1066426437.db2.gz GQAMRZZDBAEPFX-HSZRJFAPSA-N 0 3 518.655 2.230 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000015000762 1066426174 /nfs/dbraw/zinc/42/61/74/1066426174.db2.gz BKKBZOWEUYCKPT-SANMLTNESA-N 0 3 535.689 2.070 50 0 KEAAHN CN(Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000015000765 1066426263 /nfs/dbraw/zinc/42/62/63/1066426263.db2.gz BKKBZOWEUYCKPT-AREMUKBSSA-N 0 3 535.689 2.070 50 0 KEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)n1 ZINC000017012492 553586226 /nfs/dbraw/zinc/58/62/26/553586226.db2.gz SIKSWYQJGFGZEI-UHFFFAOYSA-N 0 3 506.392 2.104 50 0 KEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3I)CC2)n1 ZINC000017012602 553586218 /nfs/dbraw/zinc/58/62/18/553586218.db2.gz VINPWXCBFUHQLS-UHFFFAOYSA-N 0 3 506.392 2.104 50 0 KEAAHN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1 ZINC000017012655 553586264 /nfs/dbraw/zinc/58/62/64/553586264.db2.gz OISHBQZVWCHELT-UHFFFAOYSA-N 0 3 502.685 2.354 50 0 KEAAHN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000017356984 553594263 /nfs/dbraw/zinc/59/42/63/553594263.db2.gz VZYWQJPDTSQJTK-OAQYLSRUSA-N 0 3 532.688 2.312 50 0 KEAAHN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000017356986 553594235 /nfs/dbraw/zinc/59/42/35/553594235.db2.gz VZYWQJPDTSQJTK-NRFANRHFSA-N 0 3 532.688 2.312 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000017434319 553596546 /nfs/dbraw/zinc/59/65/46/553596546.db2.gz JMCYRCAARGLJDG-URXFXBBRSA-N 0 3 560.680 2.412 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000017434322 553596513 /nfs/dbraw/zinc/59/65/13/553596513.db2.gz JMCYRCAARGLJDG-XUZZJYLKSA-N 0 3 560.680 2.412 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@H]1CCCO1 ZINC000017434325 553596482 /nfs/dbraw/zinc/59/64/82/553596482.db2.gz JMCYRCAARGLJDG-QPPBQGQZSA-N 0 3 560.680 2.412 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@H]1CCCO1 ZINC000017434330 553596605 /nfs/dbraw/zinc/59/66/05/553596605.db2.gz JMCYRCAARGLJDG-ZJSXRUAMSA-N 0 3 560.680 2.412 50 0 KEAAHN COc1cccc(OC)c1C(=O)N1CCN(CCOc2cccc(CN(C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000019228497 553612803 /nfs/dbraw/zinc/61/28/03/553612803.db2.gz HYWNUTJZVLVYSQ-QFIPXVFZSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1cccc(OC)c1C(=O)N1CCN(CCOc2cccc(CN(C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000019228499 553612743 /nfs/dbraw/zinc/61/27/43/553612743.db2.gz HYWNUTJZVLVYSQ-JOCHJYFZSA-N 0 3 510.635 2.251 50 0 KEAAHN CCN1CCN(CCCNC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)CC1 ZINC000020136276 553593831 /nfs/dbraw/zinc/59/38/31/553593831.db2.gz POLQHJTYRPQDKX-UHFFFAOYSA-N 0 3 509.699 2.158 50 0 KEAAHN O=C(CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020152718 553596556 /nfs/dbraw/zinc/59/65/56/553596556.db2.gz QWBPLSDQXJJICL-UHFFFAOYSA-N 0 3 531.657 2.393 50 0 KEAAHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000020215886 553614111 /nfs/dbraw/zinc/61/41/11/553614111.db2.gz JJPXOHMKFGACLA-HSZRJFAPSA-N 0 3 503.669 2.016 50 0 KEAAHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000020215889 553614091 /nfs/dbraw/zinc/61/40/91/553614091.db2.gz JJPXOHMKFGACLA-QHCPKHFHSA-N 0 3 503.669 2.016 50 0 KEAAHN COc1ccc(N2C(=O)C[C@@H](NCCCCCCN[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 ZINC000020248955 553629124 /nfs/dbraw/zinc/62/91/24/553629124.db2.gz AEHDHARNOIPPCZ-DNQXCXABSA-N 0 3 522.602 2.407 50 0 KEAAHN CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000020323282 553638248 /nfs/dbraw/zinc/63/82/48/553638248.db2.gz ONRCXDJCENVZCY-UHFFFAOYSA-N 0 3 504.653 2.492 50 0 KEAAHN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCN(Cc5ccccc5)CC4)C3)cc2oc1=O ZINC000020327077 553639123 /nfs/dbraw/zinc/63/91/23/553639123.db2.gz IJURXOHUROWSIC-HXUWFJFHSA-N 0 3 512.632 2.313 50 0 KEAAHN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCN(Cc5ccccc5)CC4)C3)cc2oc1=O ZINC000020327084 553639155 /nfs/dbraw/zinc/63/91/55/553639155.db2.gz IJURXOHUROWSIC-FQEVSTJZSA-N 0 3 512.632 2.313 50 0 KEAAHN COc1cccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)c1OC ZINC000020351605 1066215346 /nfs/dbraw/zinc/21/53/46/1066215346.db2.gz KZZSIBPTKOBNOL-QFIPXVFZSA-N 0 3 510.635 2.251 50 0 KEAAHN COc1cccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)c1OC ZINC000020351610 1066215419 /nfs/dbraw/zinc/21/54/19/1066215419.db2.gz KZZSIBPTKOBNOL-JOCHJYFZSA-N 0 3 510.635 2.251 50 0 KEAAHN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(C4CCCCC4)CC2)C(=O)CO3)CC1 ZINC000020355154 553640760 /nfs/dbraw/zinc/64/07/60/553640760.db2.gz QYGPVYVDMGLXIB-UHFFFAOYSA-N 0 3 518.680 2.310 50 0 KEAAHN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(C2CCCCC2)CC1 ZINC000020355486 553641640 /nfs/dbraw/zinc/64/16/40/553641640.db2.gz CKJOJLDIXMLNDZ-UHFFFAOYSA-N 0 3 518.680 2.454 50 0 KEAAHN C=C1C(N2CCC(C(=O)NCCN3CCN(CC)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389469 553644720 /nfs/dbraw/zinc/64/47/20/553644720.db2.gz SFLJYCMMVNIKLD-UHFFFAOYSA-N 0 3 501.697 2.242 50 0 KEAAHN C=C1C(N2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389491 553644770 /nfs/dbraw/zinc/64/47/70/553644770.db2.gz AAWZWGFHKAKRBN-UHFFFAOYSA-N 0 3 501.697 2.242 50 0 KEAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000020533023 553670696 /nfs/dbraw/zinc/67/06/96/553670696.db2.gz BMFIKUSQEPECDR-RUZDIDTESA-N 0 3 505.729 2.143 50 0 KEAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000020533024 553670727 /nfs/dbraw/zinc/67/07/27/553670727.db2.gz BMFIKUSQEPECDR-VWLOTQADSA-N 0 3 505.729 2.143 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643189 553683231 /nfs/dbraw/zinc/68/32/31/553683231.db2.gz PBFQJBBWNPWUQM-RXVVDRJESA-N 0 3 505.600 2.380 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643191 553683213 /nfs/dbraw/zinc/68/32/13/553683213.db2.gz PBFQJBBWNPWUQM-GHTZIAJQSA-N 0 3 505.600 2.380 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643194 553683186 /nfs/dbraw/zinc/68/31/86/553683186.db2.gz PBFQJBBWNPWUQM-NQIIRXRSSA-N 0 3 505.600 2.380 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643196 553683193 /nfs/dbraw/zinc/68/31/93/553683193.db2.gz PBFQJBBWNPWUQM-WIYYLYMNSA-N 0 3 505.600 2.380 50 0 KEAAHN COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000020643320 553683551 /nfs/dbraw/zinc/68/35/51/553683551.db2.gz MICJNMRTJYBPTR-NRFANRHFSA-N 0 3 507.616 2.280 50 0 KEAAHN COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000020643322 553683566 /nfs/dbraw/zinc/68/35/66/553683566.db2.gz MICJNMRTJYBPTR-OAQYLSRUSA-N 0 3 507.616 2.280 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643328 553683578 /nfs/dbraw/zinc/68/35/78/553683578.db2.gz SQNOIDWYQYOSDA-UGKGYDQZSA-N 0 3 519.627 2.423 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643331 553683544 /nfs/dbraw/zinc/68/35/44/553683544.db2.gz SQNOIDWYQYOSDA-SIKLNZKXSA-N 0 3 519.627 2.423 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643334 553683588 /nfs/dbraw/zinc/68/35/88/553683588.db2.gz SQNOIDWYQYOSDA-KNQAVFIVSA-N 0 3 519.627 2.423 50 0 KEAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643336 553683560 /nfs/dbraw/zinc/68/35/60/553683560.db2.gz SQNOIDWYQYOSDA-DENIHFKCSA-N 0 3 519.627 2.423 50 0 KEAAHN CCCN1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1 ZINC000020685693 553689004 /nfs/dbraw/zinc/68/90/04/553689004.db2.gz KDTCGCYQZYNFDO-UHFFFAOYSA-N 0 3 517.696 2.240 50 0 KEAAHN CCCN1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc32)CC1 ZINC000020686706 553689279 /nfs/dbraw/zinc/68/92/79/553689279.db2.gz WMIIXQDTWIFACV-FQEVSTJZSA-N 0 3 517.696 2.239 50 0 KEAAHN CCCN1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc32)CC1 ZINC000020686712 553689334 /nfs/dbraw/zinc/68/93/34/553689334.db2.gz WMIIXQDTWIFACV-HXUWFJFHSA-N 0 3 517.696 2.239 50 0 KEAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000021027343 553705952 /nfs/dbraw/zinc/70/59/52/553705952.db2.gz SJIZNJNIJCAUBC-UHFFFAOYSA-N 0 3 511.696 2.205 50 0 KEAAHN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000021112212 553706597 /nfs/dbraw/zinc/70/65/97/553706597.db2.gz XOYLSYLEXFTCBT-UHFFFAOYSA-N 0 3 510.660 2.435 50 0 KEAAHN CN1C(=O)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876166 553718859 /nfs/dbraw/zinc/71/88/59/553718859.db2.gz UHJLTSGURMUSKZ-LJAQVGFWSA-N 0 3 514.630 2.438 50 0 KEAAHN CN1C(=O)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876169 553718841 /nfs/dbraw/zinc/71/88/41/553718841.db2.gz UHJLTSGURMUSKZ-GDLZYMKVSA-N 0 3 514.630 2.438 50 0 KEAAHN CN1C(=O)c2cc(C(=O)NCCCN3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876266 553718915 /nfs/dbraw/zinc/71/89/15/553718915.db2.gz REUIRFJNWVBQAU-LJAQVGFWSA-N 0 3 514.630 2.222 50 0 KEAAHN CN1C(=O)c2cc(C(=O)NCCCN3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876269 553718760 /nfs/dbraw/zinc/71/87/60/553718760.db2.gz REUIRFJNWVBQAU-GDLZYMKVSA-N 0 3 514.630 2.222 50 0 KEAAHN CN1C(=O)c2cc(C(=O)NCCCN3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876794 553719132 /nfs/dbraw/zinc/71/91/32/553719132.db2.gz BNJSBDDZHHZLLU-LJAQVGFWSA-N 0 3 532.620 2.361 50 0 KEAAHN CN1C(=O)c2cc(C(=O)NCCCN3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876796 553719230 /nfs/dbraw/zinc/71/92/30/553719230.db2.gz BNJSBDDZHHZLLU-GDLZYMKVSA-N 0 3 532.620 2.361 50 0 KEAAHN CCN1C(=O)c2cc(C(=O)NCCCN3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877550 553719716 /nfs/dbraw/zinc/71/97/16/553719716.db2.gz CFOJTAUCLUSIMR-NDEPHWFRSA-N 0 3 506.651 2.355 50 0 KEAAHN CCN1C(=O)c2cc(C(=O)NCCCN3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877552 553719608 /nfs/dbraw/zinc/71/96/08/553719608.db2.gz CFOJTAUCLUSIMR-MUUNZHRXSA-N 0 3 506.651 2.355 50 0 KEAAHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022791645 553750654 /nfs/dbraw/zinc/75/06/54/553750654.db2.gz DPCXHBGJTIXRAZ-JOCHJYFZSA-N 0 3 517.582 2.280 50 0 KEAAHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022791651 553750830 /nfs/dbraw/zinc/75/08/30/553750830.db2.gz DPCXHBGJTIXRAZ-QFIPXVFZSA-N 0 3 517.582 2.280 50 0 KEAAHN Cc1cn2c3c(nc2n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)n(C)c(=O)n(C)c3=O ZINC000022820932 553751399 /nfs/dbraw/zinc/75/13/99/553751399.db2.gz WBILUDCGKSHYNV-UHFFFAOYSA-N 0 3 511.630 2.402 50 0 KEAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(I)cc3)CC2)n1 ZINC000024023234 553788445 /nfs/dbraw/zinc/78/84/45/553788445.db2.gz LHTCARFZGWFSMF-UHFFFAOYSA-N 0 3 506.392 2.104 50 0 KEAAHN COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC ZINC000025107081 553792909 /nfs/dbraw/zinc/79/29/09/553792909.db2.gz CNPITRYIWYMFMA-JOCHJYFZSA-N 0 3 533.629 2.440 50 0 KEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000029749100 553851081 /nfs/dbraw/zinc/85/10/81/553851081.db2.gz KMWWANYCBSQEIA-QFIPXVFZSA-N 0 3 610.743 2.153 50 0 KEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000029749104 553850976 /nfs/dbraw/zinc/85/09/76/553850976.db2.gz KMWWANYCBSQEIA-JOCHJYFZSA-N 0 3 610.743 2.153 50 0 KEAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000029749127 553851018 /nfs/dbraw/zinc/85/10/18/553851018.db2.gz JFZAGIMPQLTWNQ-DEOSSOPVSA-N 0 3 634.740 2.100 50 0 KEAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000029749130 553851074 /nfs/dbraw/zinc/85/10/74/553851074.db2.gz JFZAGIMPQLTWNQ-XMMPIXPASA-N 0 3 634.740 2.100 50 0 KEAAHN CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC ZINC000030726650 553855585 /nfs/dbraw/zinc/85/55/85/553855585.db2.gz NWBWCXBPKTTZNQ-QOQRDJBUSA-N 0 3 584.710 2.222 50 0 biogenic,in-vitro KEAAHN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC1)OCC(=O)N2 ZINC000032958580 553881783 /nfs/dbraw/zinc/88/17/83/553881783.db2.gz SWGNZRSNPNTYFZ-UHFFFAOYSA-N 0 3 504.653 2.204 50 0 KEAAHN CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCN(C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033532 553892635 /nfs/dbraw/zinc/89/26/35/553892635.db2.gz FOLKJAHUTFWIOC-UHFFFAOYSA-N 0 3 501.653 2.073 50 0 KEAAHN CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(CC)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033534 553892771 /nfs/dbraw/zinc/89/27/71/553892771.db2.gz BCWIZKXKYLFLNP-UHFFFAOYSA-N 0 3 501.653 2.073 50 0 KEAAHN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCN(C)CC2)CC1 ZINC000033058936 553904372 /nfs/dbraw/zinc/90/43/72/553904372.db2.gz JGNJGENDGWLEBI-CMDGGOBGSA-N 0 3 533.670 2.447 50 0 KEAAHN CCN1CCN(CCNC(=O)CCCn2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)CC1 ZINC000033261395 553916178 /nfs/dbraw/zinc/91/61/78/553916178.db2.gz MCNXTIKXTWUUMX-UHFFFAOYSA-N 0 3 516.650 2.215 50 0 KEAAHN COCCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000033262976 553916156 /nfs/dbraw/zinc/91/61/56/553916156.db2.gz HAMDGTKHLZPPNF-XMMPIXPASA-N 0 3 518.684 2.098 50 0 KEAAHN COCCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000033262977 553916290 /nfs/dbraw/zinc/91/62/90/553916290.db2.gz HAMDGTKHLZPPNF-DEOSSOPVSA-N 0 3 518.684 2.098 50 0 KEAAHN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)n[nH]1 ZINC000033356048 553938564 /nfs/dbraw/zinc/93/85/64/553938564.db2.gz YBQWYLMKQSKBIN-UHFFFAOYSA-N 0 3 543.628 2.004 50 0 KEAAHN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)CN4CCCCC4)CC3)n2)CC1 ZINC000034677810 553984047 /nfs/dbraw/zinc/98/40/47/553984047.db2.gz QJDYGOFKAUVZDA-RUZDIDTESA-N 0 3 524.710 2.164 50 0 KEAAHN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)CN4CCCCC4)CC3)n2)CC1 ZINC000034677811 553984008 /nfs/dbraw/zinc/98/40/08/553984008.db2.gz QJDYGOFKAUVZDA-VWLOTQADSA-N 0 3 524.710 2.164 50 0 KEAAHN COc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N(CCN(C)C)Cc2ccccc2)C3)c1OC ZINC000034792677 554008293 /nfs/dbraw/zinc/00/82/93/554008293.db2.gz BFJAYNQAGNIPIL-VWLOTQADSA-N 0 3 521.618 2.087 50 0 KEAAHN COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N(CCN(C)C)Cc2ccccc2)C3)c1OC ZINC000034792679 554008289 /nfs/dbraw/zinc/00/82/89/554008289.db2.gz BFJAYNQAGNIPIL-RUZDIDTESA-N 0 3 521.618 2.087 50 0 KEAAHN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(C4CCCCC4)CC3)C1)OCC(=O)N2 ZINC000035378806 554046259 /nfs/dbraw/zinc/04/62/59/554046259.db2.gz JDISWCPUMLXUTC-IBGZPJMESA-N 0 3 504.653 2.204 50 0 KEAAHN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(C4CCCCC4)CC3)C1)OCC(=O)N2 ZINC000035378807 554046266 /nfs/dbraw/zinc/04/62/66/554046266.db2.gz JDISWCPUMLXUTC-LJQANCHMSA-N 0 3 504.653 2.204 50 0 KEAAHN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C1)OCC(=O)N2 ZINC000035378962 554046574 /nfs/dbraw/zinc/04/65/74/554046574.db2.gz JTFKFIGVSAOLJE-QFIPXVFZSA-N 0 3 526.659 2.291 50 0 KEAAHN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C1)OCC(=O)N2 ZINC000035378963 554046637 /nfs/dbraw/zinc/04/66/37/554046637.db2.gz JTFKFIGVSAOLJE-JOCHJYFZSA-N 0 3 526.659 2.291 50 0 KEAAHN COc1ccc(CC(=O)N2CCN(c3nc(CN(C)CCc4ccc(OC)c(OC)c4)cc(=O)[nH]3)CC2)cc1 ZINC000035926313 554099250 /nfs/dbraw/zinc/09/92/50/554099250.db2.gz DKPPYKNXTWBLNY-UHFFFAOYSA-N 0 3 535.645 2.362 50 0 KEAAHN O=C(c1ccccc1)N1CCCN(c2nc(CN3CCN(CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926590 554100020 /nfs/dbraw/zinc/10/00/20/554100020.db2.gz UKPCPXBWIWSAMP-UHFFFAOYSA-N 0 3 500.647 2.483 50 0 KEAAHN O=C(COc1ccccc1)N1CCCN(c2nc(CN3CCN(CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926601 554100028 /nfs/dbraw/zinc/10/00/28/554100028.db2.gz VYALIDKYEXPBLX-UHFFFAOYSA-N 0 3 530.673 2.248 50 0 KEAAHN O=C(COc1ccccc1)N1CCCN(c2nc(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)[n-]2)CC1 ZINC000035926703 554100373 /nfs/dbraw/zinc/10/03/73/554100373.db2.gz CSJYSJKRAZDEIU-UHFFFAOYSA-N 0 3 508.667 2.338 50 0 KEAAHN O=C(NCc1ccccc1)N1CCN(c2nc(CN3CCN(CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926768 554100439 /nfs/dbraw/zinc/10/04/39/554100439.db2.gz SLLYWANGTKNVQA-UHFFFAOYSA-N 0 3 515.662 2.162 50 0 KEAAHN CN(C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981912 554118073 /nfs/dbraw/zinc/11/80/73/554118073.db2.gz CIARUBRJDGPRDG-QFIPXVFZSA-N 0 3 500.546 2.116 50 0 KEAAHN CN(C)CCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981913 554118115 /nfs/dbraw/zinc/11/81/15/554118115.db2.gz CIARUBRJDGPRDG-JOCHJYFZSA-N 0 3 500.546 2.116 50 0 KEAAHN COc1ccc(C(=O)N2[C@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035986514 554119273 /nfs/dbraw/zinc/11/92/73/554119273.db2.gz NFEWNLSRNBHRKK-QHCPKHFHSA-N 0 3 529.037 2.500 50 0 KEAAHN COc1ccc(C(=O)N2[C@@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035986515 554119317 /nfs/dbraw/zinc/11/93/17/554119317.db2.gz NFEWNLSRNBHRKK-HSZRJFAPSA-N 0 3 529.037 2.500 50 0 KEAAHN COc1ccc(C(=O)N2[C@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035986546 554119222 /nfs/dbraw/zinc/11/92/22/554119222.db2.gz MZSBEJDTXKYKJT-DEOSSOPVSA-N 0 3 508.619 2.155 50 0 KEAAHN COc1ccc(C(=O)N2[C@@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035986548 554119323 /nfs/dbraw/zinc/11/93/23/554119323.db2.gz MZSBEJDTXKYKJT-XMMPIXPASA-N 0 3 508.619 2.155 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCCN(C)C)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986963 554120054 /nfs/dbraw/zinc/12/00/54/554120054.db2.gz UGIBUNVLIPBJDV-DEOSSOPVSA-N 0 3 508.619 2.155 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCCN(C)C)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986964 554120057 /nfs/dbraw/zinc/12/00/57/554120057.db2.gz UGIBUNVLIPBJDV-XMMPIXPASA-N 0 3 508.619 2.155 50 0 KEAAHN Cc1cccc(C(=O)N2[C@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987165 554120529 /nfs/dbraw/zinc/12/05/29/554120529.db2.gz QTQNMQJFCUXRHA-QHCPKHFHSA-N 0 3 514.573 2.425 50 0 KEAAHN Cc1cccc(C(=O)N2[C@@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987166 554120574 /nfs/dbraw/zinc/12/05/74/554120574.db2.gz QTQNMQJFCUXRHA-HSZRJFAPSA-N 0 3 514.573 2.425 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCCN(C)C)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987700 554121852 /nfs/dbraw/zinc/12/18/52/554121852.db2.gz JSFMUSBIQKFRQG-DEOSSOPVSA-N 0 3 508.619 2.155 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCCN(C)C)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987701 554121817 /nfs/dbraw/zinc/12/18/17/554121817.db2.gz JSFMUSBIQKFRQG-XMMPIXPASA-N 0 3 508.619 2.155 50 0 KEAAHN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCCN(C)C)N3C(=O)c2ccccc2C)c1 ZINC000035987830 554122263 /nfs/dbraw/zinc/12/22/63/554122263.db2.gz HYXUNWPEAZHSMH-DEOSSOPVSA-N 0 3 508.619 2.155 50 0 KEAAHN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCCN(C)C)N3C(=O)c2ccccc2C)c1 ZINC000035987831 554122322 /nfs/dbraw/zinc/12/23/22/554122322.db2.gz HYXUNWPEAZHSMH-XMMPIXPASA-N 0 3 508.619 2.155 50 0 KEAAHN COc1cccc(C(=O)N2[C@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000035990095 554123764 /nfs/dbraw/zinc/12/37/64/554123764.db2.gz IJAQLFWLNHPISY-QHCPKHFHSA-N 0 3 529.037 2.500 50 0 KEAAHN COc1cccc(C(=O)N2[C@@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000035990096 554123743 /nfs/dbraw/zinc/12/37/43/554123743.db2.gz IJAQLFWLNHPISY-HSZRJFAPSA-N 0 3 529.037 2.500 50 0 KEAAHN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)C1CC1 ZINC000036072871 554170635 /nfs/dbraw/zinc/17/06/35/554170635.db2.gz XADYTZUPKXZHFZ-UHFFFAOYSA-N 0 3 524.666 2.390 50 0 KEAAHN CCC(=O)N(CCN(CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1 ZINC000036083293 554175130 /nfs/dbraw/zinc/17/51/30/554175130.db2.gz OITYBDVWAJZSHO-UHFFFAOYSA-N 0 3 512.655 2.390 50 0 KEAAHN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)C1CC1 ZINC000036083294 554175116 /nfs/dbraw/zinc/17/51/16/554175116.db2.gz PCOUOPGPDVRBTD-UHFFFAOYSA-N 0 3 524.666 2.390 50 0 KEAAHN CCNC(=O)N(CCN(CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1 ZINC000036083336 554175426 /nfs/dbraw/zinc/17/54/26/554175426.db2.gz FYHXRNDTGDKDAT-UHFFFAOYSA-N 0 3 527.670 2.183 50 0 KEAAHN COCCN1CCN(Cc2ccc(-c3[nH]nc4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1 ZINC000043128366 554297512 /nfs/dbraw/zinc/29/75/12/554297512.db2.gz XLSYZSRXVVCHLS-UHFFFAOYSA-N 0 3 545.644 2.421 50 0 investigational KEAAHN COc1ccc(-c2c(C(=O)NCCN(C)C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000065119068 554525232 /nfs/dbraw/zinc/52/52/32/554525232.db2.gz YJXFGNDPUUYPHG-UHFFFAOYSA-N 0 3 514.652 2.488 50 0 KEAAHN COc1cc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1[O-] ZINC000070672264 553601853 /nfs/dbraw/zinc/60/18/53/553601853.db2.gz NQSKLHRUOSBVGR-DLBZAZTESA-N 0 3 573.444 2.024 50 0 biogenic KEAAHN COc1cc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1[O-] ZINC000070672264 553601851 /nfs/dbraw/zinc/60/18/51/553601851.db2.gz NQSKLHRUOSBVGR-DLBZAZTESA-N 0 3 573.444 2.024 50 0 biogenic KEAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712344 553633993 /nfs/dbraw/zinc/63/39/93/553633993.db2.gz AOTYYZLJECCICM-QOZHGTPNSA-N 0 3 528.646 2.257 50 0 biogenic KEAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712345 553634011 /nfs/dbraw/zinc/63/40/11/553634011.db2.gz AOTYYZLJECCICM-OXPWFEJJSA-N 0 3 528.646 2.257 50 0 biogenic KEAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712347 553634089 /nfs/dbraw/zinc/63/40/89/553634089.db2.gz AOTYYZLJECCICM-SSYHAFFOSA-N 0 3 528.646 2.257 50 0 biogenic KEAAHN CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712349 553634032 /nfs/dbraw/zinc/63/40/32/553634032.db2.gz AOTYYZLJECCICM-QVLVEBFSSA-N 0 3 528.646 2.257 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000079188371 553666759 /nfs/dbraw/zinc/66/67/59/553666759.db2.gz WCTVGFCNAISTOI-RTWAWAEBSA-N 0 3 519.621 2.333 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079189630 553667376 /nfs/dbraw/zinc/66/73/76/553667376.db2.gz YDASJPGPQGHZEP-RPWUZVMVSA-N 0 3 515.658 2.190 50 0 biogenic KEAAHN O=C(NCCCN1CCN(CCCNC(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O ZINC000084724451 553677944 /nfs/dbraw/zinc/67/79/44/553677944.db2.gz SOMLGSVIPDNBKQ-UHFFFAOYSA-N 0 3 544.608 2.457 50 0 KEAAHN COc1ccc(CN2CCN(Cc3c(O)c(=O)cc(CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)n3C)CC2)c(OC)c1OC ZINC000085875116 553688473 /nfs/dbraw/zinc/68/84/73/553688473.db2.gz ZYBARTVCXKZHFE-VWNXMTODSA-N 0 3 605.736 2.216 50 0 biogenic KEAAHN COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n1C)CC2 ZINC000085875143 553688380 /nfs/dbraw/zinc/68/83/80/553688380.db2.gz GSECXWOXZZUHSB-KNQAVFIVSA-N 0 3 532.641 2.447 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1 ZINC000085875250 553688452 /nfs/dbraw/zinc/68/84/52/553688452.db2.gz IGBIQAIZMGCIFK-YADHBBJMSA-N 0 3 501.631 2.194 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000085876705 553688868 /nfs/dbraw/zinc/68/88/68/553688868.db2.gz LSWNFDFVEDZTIH-YRTUYQHASA-N 0 3 502.615 2.445 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000085876712 553688979 /nfs/dbraw/zinc/68/89/79/553688979.db2.gz LSWNFDFVEDZTIH-SBQVMTCPSA-N 0 3 502.615 2.445 50 0 biogenic KEAAHN COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2C)CC1 ZINC000085876817 553688829 /nfs/dbraw/zinc/68/88/29/553688829.db2.gz BUPPOPPRPDCLIK-YADHBBJMSA-N 0 3 531.657 2.203 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 ZINC000085877933 553689280 /nfs/dbraw/zinc/68/92/80/553689280.db2.gz UUHCCWBRDQMOPB-RPWUZVMVSA-N 0 3 545.684 2.069 50 0 biogenic KEAAHN Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000085879680 553689984 /nfs/dbraw/zinc/68/99/84/553689984.db2.gz PMRVMNPDOIPRHP-PKTZIBPZSA-N 0 3 563.674 2.208 50 0 biogenic KEAAHN COc1cccc(C(=O)N2[C@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000096210230 553729165 /nfs/dbraw/zinc/72/91/65/553729165.db2.gz IOYDPALPGWRXGC-DEOSSOPVSA-N 0 3 508.619 2.155 50 0 KEAAHN COc1cccc(C(=O)N2[C@@H](C(=O)NCCN(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000096210231 553729181 /nfs/dbraw/zinc/72/91/81/553729181.db2.gz IOYDPALPGWRXGC-XMMPIXPASA-N 0 3 508.619 2.155 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCCN(C)C)N3C(=O)c2ccc(C)cc2)cc1OC ZINC000098014905 554093853 /nfs/dbraw/zinc/09/38/53/554093853.db2.gz TXVXDUAPZILIEY-QHCPKHFHSA-N 0 3 538.645 2.164 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCCN(C)C)N3C(=O)c2ccc(C)cc2)cc1OC ZINC000098014906 554093844 /nfs/dbraw/zinc/09/38/44/554093844.db2.gz TXVXDUAPZILIEY-HSZRJFAPSA-N 0 3 538.645 2.164 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCCN(C)C)N3C(=O)c2ccccc2C)cc1OC ZINC000098014917 554093822 /nfs/dbraw/zinc/09/38/22/554093822.db2.gz SYWCMUSEBVKBHE-QHCPKHFHSA-N 0 3 538.645 2.164 50 0 KEAAHN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCCN(C)C)N3C(=O)c2ccccc2C)cc1OC ZINC000098014918 554093878 /nfs/dbraw/zinc/09/38/78/554093878.db2.gz SYWCMUSEBVKBHE-HSZRJFAPSA-N 0 3 538.645 2.164 50 0 KEAAHN CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1 ZINC000100957087 554540171 /nfs/dbraw/zinc/54/01/71/554540171.db2.gz IPDJJFGDYLXFRF-UHFFFAOYSA-N 0 3 539.500 2.209 50 0 KEAAHN CCN1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000101208821 554678088 /nfs/dbraw/zinc/67/80/88/554678088.db2.gz TUOBWMJUQHOAQS-KBBGZRRDSA-N 0 3 549.716 2.171 50 0 biogenic KEAAHN CCN1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000101208824 554678054 /nfs/dbraw/zinc/67/80/54/554678054.db2.gz TUOBWMJUQHOAQS-YQXAMQIPSA-N 0 3 549.716 2.171 50 0 biogenic KEAAHN O=C(COCc1ccccc1)N1CCCN(c2nc(CN3CCN(CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000101210369 554679027 /nfs/dbraw/zinc/67/90/27/554679027.db2.gz PVFIIQNMUZGUOX-UHFFFAOYSA-N 0 3 544.700 2.386 50 0 KEAAHN O=C(COCc1ccccc1)N1CCCN(c2nc(CN3CCN(CCc4ccccc4)CC3)cc(=O)[n-]2)CC1 ZINC000101210369 554679026 /nfs/dbraw/zinc/67/90/26/554679026.db2.gz PVFIIQNMUZGUOX-UHFFFAOYSA-N 0 3 544.700 2.386 50 0 KEAAHN O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000101304882 554714889 /nfs/dbraw/zinc/71/48/89/554714889.db2.gz JMFSSFUNZNFVKQ-UHFFFAOYSA-N 0 3 543.624 2.244 50 0 KEAAHN COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000101385777 554750237 /nfs/dbraw/zinc/75/02/37/554750237.db2.gz HUYJFTBNQZWNEY-HSZRJFAPSA-N 0 3 548.669 2.270 50 0 KEAAHN COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000101385783 554750217 /nfs/dbraw/zinc/75/02/17/554750217.db2.gz HUYJFTBNQZWNEY-QHCPKHFHSA-N 0 3 548.669 2.270 50 0 KEAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000101403155 554760611 /nfs/dbraw/zinc/76/06/11/554760611.db2.gz PQAULDHWAQHWTK-UHFFFAOYSA-N 0 3 542.731 2.416 50 0 KEAAHN CCOC(=O)C1C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000101427842 554769191 /nfs/dbraw/zinc/76/91/91/554769191.db2.gz SJZLGFPAKQXHSI-RUZDIDTESA-N 0 3 538.601 2.421 50 0 KEAAHN CCOC(=O)C1C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000101427845 554769204 /nfs/dbraw/zinc/76/92/04/554769204.db2.gz SJZLGFPAKQXHSI-VWLOTQADSA-N 0 3 538.601 2.421 50 0 KEAAHN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN(C)C)C(=O)Cc4ccccc4)CC3)nn2)c(OC)c1 ZINC000101643812 554814813 /nfs/dbraw/zinc/81/48/13/554814813.db2.gz DLOSUVQSODYVHC-UHFFFAOYSA-N 0 3 546.672 2.442 50 0 KEAAHN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCOc2cccc(CN(C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000101692251 554830739 /nfs/dbraw/zinc/83/07/39/554830739.db2.gz XZDNXLKSBDZDEP-QFIPXVFZSA-N 0 3 551.109 2.444 50 0 KEAAHN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCOc2cccc(CN(C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000101692258 554830837 /nfs/dbraw/zinc/83/08/37/554830837.db2.gz XZDNXLKSBDZDEP-JOCHJYFZSA-N 0 3 551.109 2.444 50 0 KEAAHN COc1ccc(N2C(=O)C[C@H](NCCCCCCN[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 ZINC000102229465 554899898 /nfs/dbraw/zinc/89/98/98/554899898.db2.gz AEHDHARNOIPPCZ-ZEQRLZLVSA-N 0 3 522.602 2.407 50 0 KEAAHN COc1ccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)c(OC)c1OC ZINC000102599435 554977512 /nfs/dbraw/zinc/97/75/12/554977512.db2.gz ARAJFQPHPAOHIP-QFIPXVFZSA-N 0 3 540.661 2.260 50 0 KEAAHN COc1ccc(C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)c(OC)c1OC ZINC000102599440 554977484 /nfs/dbraw/zinc/97/74/84/554977484.db2.gz ARAJFQPHPAOHIP-JOCHJYFZSA-N 0 3 540.661 2.260 50 0 KEAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCN3CCNC3=O)C2)cc1OC ZINC000102600735 554977616 /nfs/dbraw/zinc/97/76/16/554977616.db2.gz BVAZABXRJMTFEC-BJKOFHAPSA-N 0 3 549.672 2.411 50 0 KEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)cc1 ZINC000102740412 555029362 /nfs/dbraw/zinc/02/93/62/555029362.db2.gz ZBFOBSFFJUEIPI-HSZRJFAPSA-N 0 3 596.735 2.224 50 0 KEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)cc1 ZINC000102740414 555029305 /nfs/dbraw/zinc/02/93/05/555029305.db2.gz ZBFOBSFFJUEIPI-QHCPKHFHSA-N 0 3 596.735 2.224 50 0 KEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000102746699 555039616 /nfs/dbraw/zinc/03/96/16/555039616.db2.gz MRDDACQQFHWJAF-XMMPIXPASA-N 0 3 622.704 2.230 50 0 KEAAHN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000102746700 555039604 /nfs/dbraw/zinc/03/96/04/555039604.db2.gz MRDDACQQFHWJAF-DEOSSOPVSA-N 0 3 622.704 2.230 50 0 KEAAHN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000102786226 555067810 /nfs/dbraw/zinc/06/78/10/555067810.db2.gz GFTAOLOBXHRQQL-UHFFFAOYSA-N 0 3 572.753 2.217 50 0 KEAAHN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCCN4CCCC4)CC3)cc21 ZINC000102792918 555069939 /nfs/dbraw/zinc/06/99/39/555069939.db2.gz XHWWYBALYZQVLK-UHFFFAOYSA-N 0 3 541.512 2.361 50 0 KEAAHN Cc1ccc(S(=O)(=O)N2CCCN(c3nc(CN4CCN(CCc5ccccc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103139043 555308875 /nfs/dbraw/zinc/30/88/75/555308875.db2.gz MCABFJSEZQVNJS-UHFFFAOYSA-N 0 3 550.729 2.340 50 0 KEAAHN COc1cccc(OC)c1C(=O)N1CCN(c2nc(CN3CCN(CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000103208395 555339501 /nfs/dbraw/zinc/33/95/01/555339501.db2.gz XWKVWTVIWNSDTB-UHFFFAOYSA-N 0 3 546.672 2.110 50 0 KEAAHN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN(C)C)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c(OC)c1 ZINC000103334405 555360600 /nfs/dbraw/zinc/36/06/00/555360600.db2.gz OMUCFDMTBXVHHI-UHFFFAOYSA-N 0 3 576.654 2.242 50 0 KEAAHN O=c1n(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1C[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000103559838 555448396 /nfs/dbraw/zinc/44/83/96/555448396.db2.gz LIQWPQFTKPEFJH-MEKGRNQZSA-N 0 3 598.792 2.160 50 0 KEAAHN O=c1n(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1C[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000103559842 555448272 /nfs/dbraw/zinc/44/82/72/555448272.db2.gz LIQWPQFTKPEFJH-ROJLCIKYSA-N 0 3 598.792 2.160 50 0 KEAAHN O=c1n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1C[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000103559847 555448228 /nfs/dbraw/zinc/44/82/28/555448228.db2.gz LIQWPQFTKPEFJH-ACHIHNKUSA-N 0 3 598.792 2.160 50 0 KEAAHN CCOC(=O)N1CCN(C(=O)CSc2nn3c(nc4c(c3=O)CN(CCc3ccccc3)CC4)s2)CC1 ZINC000113665864 571442270 /nfs/dbraw/zinc/44/22/70/571442270.db2.gz PKYIYYHPJGQKRE-UHFFFAOYSA-N 0 3 542.687 2.145 50 0 KEAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1 ZINC000150388448 571471007 /nfs/dbraw/zinc/47/10/07/571471007.db2.gz DLCYTHUXJWRPMH-UHFFFAOYSA-N 0 3 668.802 2.205 50 0 KEAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 ZINC000150425069 571489549 /nfs/dbraw/zinc/48/95/49/571489549.db2.gz ZYCGPRJMVWRFRO-RUZDIDTESA-N 0 3 634.740 2.100 50 0 KEAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 ZINC000150425072 571489511 /nfs/dbraw/zinc/48/95/11/571489511.db2.gz ZYCGPRJMVWRFRO-VWLOTQADSA-N 0 3 634.740 2.100 50 0 KEAAHN CCN1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000225424204 571790449 /nfs/dbraw/zinc/79/04/49/571790449.db2.gz TUOBWMJUQHOAQS-YTXSASNOSA-N 0 3 549.716 2.171 50 0 KEAAHN CCN1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000225424237 571790574 /nfs/dbraw/zinc/79/05/74/571790574.db2.gz TUOBWMJUQHOAQS-UHASXDTDSA-N 0 3 549.716 2.171 50 0 KEAAHN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(C2CCCCC2)CC1 ZINC000257178685 1066216828 /nfs/dbraw/zinc/21/68/28/1066216828.db2.gz GYAIMQBQBOYSDE-JOCHJYFZSA-N 0 3 504.697 2.461 50 0 KEAAHN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(C2CCCCC2)CC1 ZINC000257178686 1066356255 /nfs/dbraw/zinc/35/62/55/1066356255.db2.gz GYAIMQBQBOYSDE-QFIPXVFZSA-N 0 3 504.697 2.461 50 0 KEAAHN COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCCN2CCCCC2)OCO4)cc(OC)c1OC ZINC000257197227 1066218764 /nfs/dbraw/zinc/21/87/64/1066218764.db2.gz ZRNVWDYTNUXOSY-JYIOINSGSA-N 0 3 542.629 2.447 50 0 KEAAHN CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)CN ZINC000575628215 1066354912 /nfs/dbraw/zinc/35/49/12/1066354912.db2.gz DHCACWGWAAFOJT-UHFFFAOYSA-N 0 3 562.701 2.045 50 0 KEAAHN CC(C)CCOc1cccc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)c1 ZINC000952855835 1066363402 /nfs/dbraw/zinc/36/34/02/1066363402.db2.gz GKGRGVJEUQAIRG-WNCULLNHSA-N 0 3 561.687 2.178 50 0 KEAAHN COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1cc(C3CC3)n[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952856031 1066364160 /nfs/dbraw/zinc/36/41/60/1066364160.db2.gz CWQBMOMKMNQZCZ-RKYHASQBSA-N 0 3 693.850 2.279 50 0 KEAAHN Cc1c(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)[nH]c2ccc(Cl)cc12 ZINC000952856074 1066364119 /nfs/dbraw/zinc/36/41/19/1066364119.db2.gz HKIRVBNECWYCIL-AVRWGWEMSA-N 0 3 563.062 2.196 50 0 KEAAHN CCN1CC(=O)N[C@H]2CN(C(=O)CN)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856204 1066364600 /nfs/dbraw/zinc/36/46/00/1066364600.db2.gz SCZUMTFVASMSCG-DQEYMECFSA-N 0 3 524.618 2.303 50 0 KEAAHN CN1CCNC(=O)C[C@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952856245 1066365294 /nfs/dbraw/zinc/36/52/94/1066365294.db2.gz UQVINAZJDQFGEA-WXVAWEFUSA-N 0 3 559.671 2.075 50 0 KEAAHN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1n[nH]c(C)c1Cl)CCCNC(=O)CC2 ZINC000952856273 1066365361 /nfs/dbraw/zinc/36/53/61/1066365361.db2.gz VSYZPSZUNMMAOO-FQEVSTJZSA-N 0 3 577.126 2.457 50 0 KEAAHN CC(C)Cc1ccc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)s1 ZINC000952856356 1066365227 /nfs/dbraw/zinc/36/52/27/1066365227.db2.gz ZUXJROZFSRTCBF-YADARESESA-N 0 3 537.690 2.013 50 0 KEAAHN CN1CCNC(=O)C[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952856704 1066366216 /nfs/dbraw/zinc/36/62/16/1066366216.db2.gz FSKCGUDEVHGARR-BKMJKUGQSA-N 0 3 559.671 2.075 50 0 KEAAHN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1cccnc1)CCCNC(=O)CC2 ZINC000952857021 1066366850 /nfs/dbraw/zinc/36/68/50/1066366850.db2.gz GQAPXBFIKVVJIX-QFIPXVFZSA-N 0 3 539.677 2.167 50 0 KEAAHN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(Cc3cccc(Cn4cccn4)c3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952857055 1066367542 /nfs/dbraw/zinc/36/75/42/1066367542.db2.gz NTJSHXWTSUUMKV-RPLLCQBOSA-N 0 3 584.681 2.376 50 0 KEAAHN COc1ccccc1CN1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857084 1066367637 /nfs/dbraw/zinc/36/76/37/1066367637.db2.gz XQUHCBIIHSXPHZ-VWLOTQADSA-N 0 3 516.646 2.359 50 0 KEAAHN COc1cc2c(cc1CN1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CCc3ccc(c(OC)c3)OCC(=O)NCCC1)OCO2 ZINC000952857123 1066367414 /nfs/dbraw/zinc/36/74/14/1066367414.db2.gz KAFAXPUOMZEVIA-ZUSSQJSTSA-N 0 3 741.883 2.059 50 0 KEAAHN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952857725 1066369348 /nfs/dbraw/zinc/36/93/48/1066369348.db2.gz SCHABZCCCCYDEJ-FDDCHVKYSA-N 0 3 560.615 2.114 50 0 KEAAHN O=C1NCCCn2cc(nn2)CC2(CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952857765 1066369062 /nfs/dbraw/zinc/36/90/62/1066369062.db2.gz TXZRGWHXIAVYOY-SANMLTNESA-N 0 3 528.657 2.285 50 0 KEAAHN CCc1nccc(CN2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(OC)c(c3)OCc3cn(nn3)CCC2)n1 ZINC000952859046 1066370726 /nfs/dbraw/zinc/37/07/26/1066370726.db2.gz NTOKMIGGJYGCNK-OJDZNQKVSA-N 0 3 693.850 2.031 50 0 KEAAHN COc1ccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1OC ZINC000952862000 1066372225 /nfs/dbraw/zinc/37/22/25/1066372225.db2.gz HRTQFVZNGPJCOJ-VWLOTQADSA-N 0 3 546.672 2.368 50 0 KEAAHN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(Cc2ccc(Sc3nncn3C)o2)CCCCN(C)C1=O ZINC000952863686 1066371191 /nfs/dbraw/zinc/37/11/91/1066371191.db2.gz RVNRQXQEHRHEOI-IBGZPJMESA-N 0 3 599.714 2.023 50 0 KEAAHN COc1ccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1F ZINC000952864035 1066377434 /nfs/dbraw/zinc/37/74/34/1066377434.db2.gz HQCSNOKRGFIIDE-VWLOTQADSA-N 0 3 534.636 2.498 50 0 KEAAHN O=C1NCCCn2cc(nn2)CC2(CCN(Cc3ccc4c(c3)OCCO4)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952864113 1066377948 /nfs/dbraw/zinc/37/79/48/1066377948.db2.gz XXDWRZQVYSUYGY-VWLOTQADSA-N 0 3 544.656 2.122 50 0 KEAAHN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1ccccn1)CCCNC(=O)CC2 ZINC000952864134 1066377779 /nfs/dbraw/zinc/37/77/79/1066377779.db2.gz LQGDAPCXDNSSTR-QFIPXVFZSA-N 0 3 539.677 2.167 50 0 KEAAHN COc1ccc(-n2cccn2)c(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)c1 ZINC000952864173 1066378138 /nfs/dbraw/zinc/37/81/38/1066378138.db2.gz LYUBDCGFPYDITC-WXVAWEFUSA-N 0 3 600.680 2.325 50 0 KEAAHN CN1CC(=O)N[C@H]2CN(C(=O)CN3CCCN(C)CC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864303 1066378583 /nfs/dbraw/zinc/37/85/83/1066378583.db2.gz OBLJYPCSPNASOB-URLMMPGGSA-N 0 3 577.726 2.123 50 0 KEAAHN CC(C)(C)c1cc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n[nH]1 ZINC000952864483 1066378342 /nfs/dbraw/zinc/37/83/42/1066378342.db2.gz WOHPHTTUUODPDR-DEOSSOPVSA-N 0 3 532.693 2.371 50 0 KEAAHN O=C1NCCCn2cc(nn2)CC2(CCN(Cc3cccc(O)c3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952864607 1066378933 /nfs/dbraw/zinc/37/89/33/1066378933.db2.gz KAFZSJCRIJJPTQ-VWLOTQADSA-N 0 3 502.619 2.056 50 0 KEAAHN Cc1cccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n1 ZINC000952864729 1066379430 /nfs/dbraw/zinc/37/94/30/1066379430.db2.gz PQPWUSMWLRUCBY-VWLOTQADSA-N 0 3 501.635 2.054 50 0 KEAAHN COc1ccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(F)c1 ZINC000952864730 1066379406 /nfs/dbraw/zinc/37/94/06/1066379406.db2.gz LPUOQDWONZFNOI-SANMLTNESA-N 0 3 534.636 2.498 50 0 KEAAHN Cc1cc(C)cc(CN2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC2)c1 ZINC000952864848 1066380132 /nfs/dbraw/zinc/38/01/32/1066380132.db2.gz QEPJUQXBHHMXGL-LXFBAYGMSA-N 0 3 548.688 2.326 50 0 KEAAHN COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1cc3cccc(C)c3[nH]c1=O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865072 1066380612 /nfs/dbraw/zinc/38/06/12/1066380612.db2.gz NGSNEGHCUPHWGE-ZTTQLQLLSA-N 0 3 750.857 2.309 50 0 KEAAHN COc1cc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc(OC)c1 ZINC000952865440 1066381544 /nfs/dbraw/zinc/38/15/44/1066381544.db2.gz XUHUINGRZKDTNW-MHZLTWQESA-N 0 3 546.672 2.368 50 0 KEAAHN COc1cc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)ccc1F ZINC000952865568 1066381600 /nfs/dbraw/zinc/38/16/00/1066381600.db2.gz ROZDTSOALUANLK-VWLOTQADSA-N 0 3 534.636 2.498 50 0 KEAAHN O=C1NCCCn2cc(nn2)CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952865879 1066382847 /nfs/dbraw/zinc/38/28/47/1066382847.db2.gz YWXSAFPGHDFIGD-DEOSSOPVSA-N 0 3 530.629 2.079 50 0 KEAAHN COc1c(C)cnc(CN2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)c1C ZINC000952866075 1066383293 /nfs/dbraw/zinc/38/32/93/1066383293.db2.gz ZARDODZNDQAGFK-NRFANRHFSA-N 0 3 555.676 2.170 50 0 KEAAHN COc1cc2c(cc1CN1CCCCN(C)C(=O)[C@H](C)NC(=O)COc3ccc(cc3OC)C(=O)NCCC1)OCCO2 ZINC000952867862 1066384047 /nfs/dbraw/zinc/38/40/47/1066384047.db2.gz UINDPUKIWBKDDC-NRFANRHFSA-N 0 3 598.697 2.233 50 0 KEAAHN COc1ccc(F)c(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 ZINC000952868298 1066375779 /nfs/dbraw/zinc/37/57/79/1066375779.db2.gz JAVSYKKDZXNSAK-SANMLTNESA-N 0 3 534.636 2.498 50 0 KEAAHN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3CCCN(C)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952868462 1066375985 /nfs/dbraw/zinc/37/59/85/1066375985.db2.gz PEBKSCXVABDAAP-RRPNLBNLSA-N 0 3 563.699 2.113 50 0 KEAAHN COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1n[nH]c(C)c1Cl)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952869529 1066376509 /nfs/dbraw/zinc/37/65/09/1066376509.db2.gz ITZRZUQFFBQMAH-QPFIFXANSA-N 0 3 702.257 2.363 50 0 KEAAHN COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1c(C)noc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952971164 1066383798 /nfs/dbraw/zinc/38/37/98/1066383798.db2.gz NDMSFQYEDCWMQB-JUJMZJBPSA-N 0 3 682.823 2.283 50 0 KEAAHN