smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000226251093 209188373 /nfs/dbraw/zinc/18/83/73/209188373.db2.gz DCTWPWFGNSPNHY-UHFFFAOYSA-N 0 3 383.289 5.188 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000000829478 212186623 /nfs/dbraw/zinc/18/66/23/212186623.db2.gz NTQGEZJOMVFLMK-PAWHMVCQSA-N 0 3 375.487 5.468 40 0 GKABHN O=C(Nc1nc(-c2ccccc2)c(CN2CCCCCC2)s1)c1ccccc1 ZINC000028297029 209179374 /nfs/dbraw/zinc/17/93/74/209179374.db2.gz VPPYKHUXJYOXEH-UHFFFAOYSA-N 0 3 391.540 5.438 40 0 GKABHN CC(C)[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176982 204030698 /nfs/dbraw/zinc/03/06/98/204030698.db2.gz KLOBRRLODJPCDR-FICKONGGSA-N 0 3 385.551 5.708 40 0 GKABHN C[C@H](COc1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1 ZINC000004214178 204032354 /nfs/dbraw/zinc/03/23/54/204032354.db2.gz NHXOILLCRMVISV-OAQYLSRUSA-N 0 3 375.512 5.192 40 0 in-man GKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555384 204053544 /nfs/dbraw/zinc/05/35/44/204053544.db2.gz DWMBLMXBAOMOLC-HVWQDESWSA-N 0 3 385.551 5.852 40 0 GKABHN CN1CCC(S[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000005722411 204149071 /nfs/dbraw/zinc/14/90/71/204149071.db2.gz JZNJGOKDPVHBAX-HXUWFJFHSA-N 0 3 375.990 5.916 40 0 GKABHN CCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007261266 204237850 /nfs/dbraw/zinc/23/78/50/204237850.db2.gz HITBHWAAIHLIIV-UHFFFAOYSA-N 0 3 386.750 6.506 40 0 GKABHN C[C@H](NCc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000008534281 204279131 /nfs/dbraw/zinc/27/91/31/204279131.db2.gz YVFDXHMSEUOPDR-INIZCTEOSA-N 0 3 386.322 6.423 40 0 GKABHN COc1ccc(C2(NCc3ccccc3OCc3ccccn3)CCCC2)cc1 ZINC000019553802 204654229 /nfs/dbraw/zinc/65/42/29/204654229.db2.gz AEELBEAXYLNURE-UHFFFAOYSA-N 0 3 388.511 5.228 40 0 GKABHN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2)cc1 ZINC000038756213 205038897 /nfs/dbraw/zinc/03/88/97/205038897.db2.gz GFYUULBMSZCSDC-SANMLTNESA-N 0 3 398.550 5.500 40 0 GKABHN Clc1ccc(Cc2cccc(C3CCN(Cc4ccccn4)CC3)n2)cc1 ZINC000072348958 205330055 /nfs/dbraw/zinc/33/00/55/205330055.db2.gz HRGQYSQKTCMGCZ-UHFFFAOYSA-N 0 3 377.919 5.100 40 0 GKABHN COc1cccc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372503 205337136 /nfs/dbraw/zinc/33/71/36/205337136.db2.gz PYTRENZGWMOUQV-OAQYLSRUSA-N 0 3 394.544 5.244 40 0 GKABHN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000223458710 206001363 /nfs/dbraw/zinc/00/13/63/206001363.db2.gz RMNZCVXRWUGKOL-NRFANRHFSA-N 0 3 378.560 5.335 40 0 GKABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000224807711 206029743 /nfs/dbraw/zinc/02/97/43/206029743.db2.gz NYTSZLDXTKQOLK-UHFFFAOYSA-N 0 3 384.523 5.270 40 0 GKABHN CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNC3CCCC3)cc12 ZINC000257276491 206172091 /nfs/dbraw/zinc/17/20/91/206172091.db2.gz NTZLBNXJEYZBMN-UHFFFAOYSA-N 0 3 382.939 5.404 40 0 GKABHN O=C(C[C@H](c1ccccc1)N1CCCCC1)OC1c2ccccc2-c2ccccc21 ZINC000001569391 206385506 /nfs/dbraw/zinc/38/55/06/206385506.db2.gz VKODTKYYIBSZID-RUZDIDTESA-N 0 3 397.518 5.917 40 0 GKABHN CN(C)Cc1ccccc1C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001632688 206386703 /nfs/dbraw/zinc/38/67/03/206386703.db2.gz XEVIEUCMRVWHEZ-UHFFFAOYSA-N 0 3 389.542 6.756 40 0 GKABHN Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3cccc4ncccc34)n2)n1 ZINC000072375735 211106040 /nfs/dbraw/zinc/10/60/40/211106040.db2.gz CHKOCDUSIZMTBR-QHCPKHFHSA-N 0 3 395.510 5.414 40 0 GKABHN COc1ccc(CN2CCC[C@@H]2c2cccc(Cc3cccc(OC)c3)n2)cc1 ZINC000072357532 211098654 /nfs/dbraw/zinc/09/86/54/211098654.db2.gz YOMDHWZRVOPJEB-RUZDIDTESA-N 0 3 388.511 5.027 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)c1 ZINC000044917172 207645758 /nfs/dbraw/zinc/64/57/58/207645758.db2.gz AAHZXUXBWPTPBV-UHFFFAOYSA-N 0 3 392.543 5.167 40 0 GKABHN Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3cccc4ncccc34)n2)n1 ZINC000072375736 208009751 /nfs/dbraw/zinc/00/97/51/208009751.db2.gz CHKOCDUSIZMTBR-HSZRJFAPSA-N 0 3 395.510 5.414 40 0 GKABHN c1csc(Nc2cccc([C@H]3CCCN3Cc3cccc4ncccc34)n2)n1 ZINC000072375739 208010187 /nfs/dbraw/zinc/01/01/87/208010187.db2.gz OBXXRQMJWOKCIB-HXUWFJFHSA-N 0 3 387.512 5.167 40 0 GKABHN c1ccc(Nc2cccc([C@H]3CCCN3Cc3cccc4ncccc34)n2)nc1 ZINC000072375734 208010542 /nfs/dbraw/zinc/01/05/42/208010542.db2.gz INJAGXWEBNCIAY-JOCHJYFZSA-N 0 3 381.483 5.106 40 0 GKABHN CCOc1cc(CNCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008254711 221033094 /nfs/dbraw/zinc/03/30/94/221033094.db2.gz WOPDKFDZIPYDLV-UHFFFAOYSA-N 0 3 381.903 5.608 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008534252 221043399 /nfs/dbraw/zinc/04/33/99/221043399.db2.gz DGHMGMLVROPEJG-INIZCTEOSA-N 0 3 399.893 5.918 40 0 GKABHN Fc1ccc(CNCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000016525975 221365230 /nfs/dbraw/zinc/36/52/30/221365230.db2.gz FAOHKFDXPRKETD-UHFFFAOYSA-N 0 3 389.445 5.987 40 0 GKABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2cc(F)cc(F)c2)on1 ZINC000019120467 221398129 /nfs/dbraw/zinc/39/81/29/221398129.db2.gz MTWYSBZOTPDARZ-WMZHIEFXSA-N 0 3 397.469 5.070 40 0 GKABHN CC1=C[C@@H](CNCc2ccco2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883544 221706690 /nfs/dbraw/zinc/70/66/90/221706690.db2.gz XRZBQTLRARZAON-BJLQDIEVSA-N 0 3 385.552 5.147 40 0 biogenic,in-vitro GKABHN CCN(CC)CCOc1ccc([C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000077287059 222277384 /nfs/dbraw/zinc/27/73/84/222277384.db2.gz QRDUUUZNVAYWOU-VWLOTQADSA-N 0 3 387.523 5.422 40 0 in-vitro GKABHN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408613172 534680154 /nfs/dbraw/zinc/68/01/54/534680154.db2.gz XUDBCTPZGVQSMD-UHFFFAOYSA-N 0 3 396.534 5.017 40 0 GKABHN O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408613714 534680644 /nfs/dbraw/zinc/68/06/44/534680644.db2.gz ZQAUXIMOVDQAMC-AREMUKBSSA-N 0 3 396.534 5.017 40 0 GKABHN FC(F)(F)c1ccc2[nH]c([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446672 560079509 /nfs/dbraw/zinc/07/95/09/560079509.db2.gz AYEMYKCLAPEPES-ZDUSSCGKSA-N 0 3 379.813 5.225 40 0 biogenic,in-vitro GKABHN CC1CCN(Cc2ccc3oc(-c4ccccc4Br)nc3c2)CC1 ZINC000216827177 570302394 /nfs/dbraw/zinc/30/23/94/570302394.db2.gz YKOBFYLUAQDXNY-UHFFFAOYSA-N 0 3 385.305 5.489 40 0 GKABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215626 570313766 /nfs/dbraw/zinc/31/37/66/570313766.db2.gz JOSMZNDWXDHMTD-FQEVSTJZSA-N 0 3 387.568 5.559 40 0 GKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214762 570314766 /nfs/dbraw/zinc/31/47/66/570314766.db2.gz BOUPMTDMXODRII-LJQANCHMSA-N 0 3 375.557 5.560 40 0 GKABHN CCCCN1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214583 570314844 /nfs/dbraw/zinc/31/48/44/570314844.db2.gz SASVGWMDBHJQCT-FQEVSTJZSA-N 0 3 389.584 5.806 40 0 GKABHN CCCCN1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214564 570314877 /nfs/dbraw/zinc/31/48/77/570314877.db2.gz DFOFCASHPFRNFI-IBGZPJMESA-N 0 3 375.557 5.416 40 0 GKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072214579 570315048 /nfs/dbraw/zinc/31/50/48/570315048.db2.gz CWPVSFMUIIDUAZ-LJQANCHMSA-N 0 3 375.557 5.415 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CCCC)cn1 ZINC000072215003 570315242 /nfs/dbraw/zinc/31/52/42/570315242.db2.gz JOHJGGCBHUFYAA-FQEVSTJZSA-N 0 3 389.584 5.950 40 0 GKABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214940 570315326 /nfs/dbraw/zinc/31/53/26/570315326.db2.gz ZUPFSHORESGPBN-LJQANCHMSA-N 0 3 375.557 5.415 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CCC)cn1 ZINC000072214997 570315389 /nfs/dbraw/zinc/31/53/89/570315389.db2.gz YDPCEZGLYMBEIH-LJQANCHMSA-N 0 3 375.557 5.560 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072215152 570315418 /nfs/dbraw/zinc/31/54/18/570315418.db2.gz FYSDTSBIVHZWDT-HKUYNNGSSA-N 0 3 375.557 5.557 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CCC ZINC000072215057 570315436 /nfs/dbraw/zinc/31/54/36/570315436.db2.gz QWEAJBZPRYPXDU-LJQANCHMSA-N 0 3 375.557 5.560 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC(C)C ZINC000072215042 570315531 /nfs/dbraw/zinc/31/55/31/570315531.db2.gz RUNNERZIWNVLAN-LJQANCHMSA-N 0 3 375.557 5.416 40 0 GKABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215525 570315818 /nfs/dbraw/zinc/31/58/18/570315818.db2.gz VZFJXPVPDITNJF-FQEVSTJZSA-N 0 3 387.568 5.559 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072215270 570315895 /nfs/dbraw/zinc/31/58/95/570315895.db2.gz USZZUPMZZKFOGZ-AZUAARDMSA-N 0 3 389.584 5.805 40 0 GKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215272 570315946 /nfs/dbraw/zinc/31/59/46/570315946.db2.gz IJIFHVIXKRFLBL-ICSRJNTNSA-N 0 3 389.584 5.949 40 0 GKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215526 570315976 /nfs/dbraw/zinc/31/59/76/570315976.db2.gz JPFZUPSGKWYRFV-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215742 570316446 /nfs/dbraw/zinc/31/64/46/570316446.db2.gz WYAUAIXFSUEJMM-FQEVSTJZSA-N 0 3 387.568 5.701 40 0 GKABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215743 570316522 /nfs/dbraw/zinc/31/65/22/570316522.db2.gz BDPAOGILRIQFMA-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215803 570316643 /nfs/dbraw/zinc/31/66/43/570316643.db2.gz HZIYZJAHEOFAPC-HXUWFJFHSA-N 0 3 381.520 5.702 40 0 GKABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215683 570316676 /nfs/dbraw/zinc/31/66/76/570316676.db2.gz UYCWZRUFZGHECH-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215868 570316849 /nfs/dbraw/zinc/31/68/49/570316849.db2.gz JTLCKSRNFBHGSP-NRFANRHFSA-N 0 3 395.547 6.092 40 0 GKABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215863 570316871 /nfs/dbraw/zinc/31/68/71/570316871.db2.gz QCTSQUDMJQLSRC-HXUWFJFHSA-N 0 3 381.520 5.702 40 0 GKABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215867 570316942 /nfs/dbraw/zinc/31/69/42/570316942.db2.gz JTLCKSRNFBHGSP-OAQYLSRUSA-N 0 3 395.547 6.092 40 0 GKABHN O=C(c1ccccc1)[C@H]([C@H](c1cccs1)N1CCCCC1)N1CCCCC1 ZINC000022454289 570317189 /nfs/dbraw/zinc/31/71/89/570317189.db2.gz RNVACNZJXVZXMZ-VXKWHMMOSA-N 0 3 382.573 5.013 40 0 GKABHN Clc1ccc(-c2c[nH]nc2[C@@H]2CCCN(CCOCc3ccccc3)C2)cc1 ZINC000585169580 570319915 /nfs/dbraw/zinc/31/99/15/570319915.db2.gz HLLSWNQLBVPWBK-HXUWFJFHSA-N 0 3 395.934 5.126 40 0 GKABHN C[C@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076853 570320710 /nfs/dbraw/zinc/32/07/10/570320710.db2.gz GBCZHEWAVTUHPW-RNODOKPDSA-N 0 3 376.283 5.465 40 0 GKABHN C[C@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076857 570320998 /nfs/dbraw/zinc/32/09/98/570320998.db2.gz GBCZHEWAVTUHPW-RBZFPXEDSA-N 0 3 376.283 5.465 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(C(C)C)cc3)CC2)cc1 ZINC000219409596 570359282 /nfs/dbraw/zinc/35/92/82/570359282.db2.gz XSNUXPNNFWWAJU-UHFFFAOYSA-N 0 3 392.587 5.079 40 0 GKABHN COc1ccc(CNCc2cc3sccc3n2Cc2ccc(F)cc2)cc1 ZINC000057719332 570371389 /nfs/dbraw/zinc/37/13/89/570371389.db2.gz QKNCKRCLVXDFCI-UHFFFAOYSA-N 0 3 380.488 5.189 40 0 GKABHN C[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375786 570372251 /nfs/dbraw/zinc/37/22/51/570372251.db2.gz NTQGEZJOMVFLMK-XELASAAXSA-N 0 3 375.487 5.468 40 0 GKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477950 570376849 /nfs/dbraw/zinc/37/68/49/570376849.db2.gz IBVUWOBSESRAEG-ZJSPYRCASA-N 0 3 389.514 5.906 40 0 GKABHN Cc1ccc(C(=O)[C@H]([C@@H](c2cccs2)N2CCCCC2)N2CCCCC2)cc1 ZINC000022026416 570385342 /nfs/dbraw/zinc/38/53/42/570385342.db2.gz YWCPBUMAUPBXFT-PKTZIBPZSA-N 0 3 396.600 5.321 40 0 GKABHN Cc1ccc(C(=O)[C@@H]([C@H](c2cccs2)N2CCCCC2)N2CCCCC2)cc1 ZINC000019366805 570406506 /nfs/dbraw/zinc/40/65/06/570406506.db2.gz YWCPBUMAUPBXFT-XZOQPEGZSA-N 0 3 396.600 5.321 40 0 GKABHN Cc1ccc(C(=O)[C@@H]([C@@H](c2cccs2)N2CCCCC2)N2CCCCC2)cc1 ZINC000019366807 570406696 /nfs/dbraw/zinc/40/66/96/570406696.db2.gz YWCPBUMAUPBXFT-DHIUTWEWSA-N 0 3 396.600 5.321 40 0 GKABHN Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000035289759 570455323 /nfs/dbraw/zinc/45/53/23/570455323.db2.gz JIUUAPHQOIMPRN-FRIKZZABSA-N 0 3 395.522 5.150 40 0 GKABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000035289767 570455499 /nfs/dbraw/zinc/45/54/99/570455499.db2.gz YVQDWAHXKGQRCZ-FRIKZZABSA-N 0 3 397.563 5.006 40 0 GKABHN CN(C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000005848733 570459333 /nfs/dbraw/zinc/45/93/33/570459333.db2.gz WYGCOYQHBPYZLI-GOSISDBHSA-N 0 3 395.717 5.457 40 0 GKABHN Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000035311819 570467191 /nfs/dbraw/zinc/46/71/91/570467191.db2.gz PKSWUHKYWXMXOX-FRIKZZABSA-N 0 3 393.600 5.176 40 0 GKABHN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000223487789 570468226 /nfs/dbraw/zinc/46/82/26/570468226.db2.gz YTQKSPWJZPIAEK-TZIWHRDSSA-N 0 3 398.978 5.355 40 0 GKABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)c(C)c1 ZINC000223704136 570480163 /nfs/dbraw/zinc/48/01/63/570480163.db2.gz VXPGMYGOFZENSI-QHCPKHFHSA-N 0 3 394.559 5.117 40 0 GKABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)c(C)c1 ZINC000223704108 570480359 /nfs/dbraw/zinc/48/03/59/570480359.db2.gz VXPGMYGOFZENSI-HSZRJFAPSA-N 0 3 394.559 5.117 40 0 GKABHN O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC1c2ccccc2-c2ccccc21 ZINC000006582082 570483918 /nfs/dbraw/zinc/48/39/18/570483918.db2.gz VKODTKYYIBSZID-VWLOTQADSA-N 0 3 397.518 5.917 40 0 GKABHN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030751080 570494334 /nfs/dbraw/zinc/49/43/34/570494334.db2.gz JEBIOCSWBDFNND-DEOSSOPVSA-N 0 3 394.559 5.198 40 0 GKABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000030850301 570498252 /nfs/dbraw/zinc/49/82/52/570498252.db2.gz LDXOLASYSBEGKI-HXUWFJFHSA-N 0 3 392.587 5.707 40 0 GKABHN Cc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000007537907 570507472 /nfs/dbraw/zinc/50/74/72/570507472.db2.gz LFZLFLOLYWGTPD-UHFFFAOYSA-N 0 3 386.322 6.171 40 0 GKABHN CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000007537868 570507573 /nfs/dbraw/zinc/50/75/73/570507573.db2.gz MUGQQQDAMGPQOC-UHFFFAOYSA-N 0 3 395.930 5.916 40 0 GKABHN CCOc1cccc(CNCCc2ccc(OC)cc2)c1OCc1ccccc1 ZINC000007539427 570507819 /nfs/dbraw/zinc/50/78/19/570507819.db2.gz BJMXSXBERLENRI-UHFFFAOYSA-N 0 3 391.511 5.005 40 0 GKABHN CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000008254709 570526191 /nfs/dbraw/zinc/52/61/91/570526191.db2.gz LKGPKDFKKFIZHU-UHFFFAOYSA-N 0 3 399.893 5.747 40 0 GKABHN C[C@@H](COc1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1 ZINC000033854766 570529753 /nfs/dbraw/zinc/52/97/53/570529753.db2.gz NHXOILLCRMVISV-NRFANRHFSA-N 0 3 375.512 5.192 40 0 in-man GKABHN C[C@@H](NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000008535340 570533310 /nfs/dbraw/zinc/53/33/10/570533310.db2.gz KOTUOYWTMPELMV-MRXNPFEDSA-N 0 3 386.322 6.423 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000008534248 570533361 /nfs/dbraw/zinc/53/33/61/570533361.db2.gz DCJLPZYXAAQPHT-INIZCTEOSA-N 0 3 399.893 5.918 40 0 GKABHN C[C@@H](NCc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000008535299 570533466 /nfs/dbraw/zinc/53/34/66/570533466.db2.gz WCVMIZJDKKRQHE-LJQANCHMSA-N 0 3 385.482 6.409 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008534231 570533549 /nfs/dbraw/zinc/53/35/49/570533549.db2.gz HKJADPZSPNBQAD-INIZCTEOSA-N 0 3 399.893 5.918 40 0 GKABHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCCC2)cc1 ZINC000010360446 570569900 /nfs/dbraw/zinc/56/99/00/570569900.db2.gz ZEQLVKUTVIRWLA-UHFFFAOYSA-N 0 3 382.813 5.207 40 0 GKABHN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834056 570585838 /nfs/dbraw/zinc/58/58/38/570585838.db2.gz AJWTYQDIDUOGGM-IBGZPJMESA-N 0 3 378.903 5.344 40 0 GKABHN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038860330 570588395 /nfs/dbraw/zinc/58/83/95/570588395.db2.gz PEDLFBZLVJIBRL-HNNXBMFYSA-N 0 3 396.840 5.210 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000039766008 570594099 /nfs/dbraw/zinc/59/40/99/570594099.db2.gz QOUXHDVZFSHOFW-FQEVSTJZSA-N 0 3 392.587 5.382 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000044856301 570636777 /nfs/dbraw/zinc/63/67/77/570636777.db2.gz HXMIHKHDUSTAHV-WIYYLYMNSA-N 0 3 384.951 5.046 40 0 GKABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C ZINC000044856666 570637267 /nfs/dbraw/zinc/63/72/67/570637267.db2.gz REDKZASEHMCGJW-XMMPIXPASA-N 0 3 378.560 5.091 40 0 GKABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2C)C3)cc1 ZINC000004857247 570638342 /nfs/dbraw/zinc/63/83/42/570638342.db2.gz ONCINZPWHTYSKU-FRIKZZABSA-N 0 3 393.600 5.176 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934749 570643837 /nfs/dbraw/zinc/64/38/37/570643837.db2.gz ALHFAOPHNIFHSO-UYAOXDASSA-N 0 3 384.951 5.046 40 0 GKABHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044936633 570644362 /nfs/dbraw/zinc/64/43/62/570644362.db2.gz OAYUPJZVXUAENB-GGAORHGYSA-N 0 3 398.978 5.456 40 0 GKABHN CCSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044938515 570644767 /nfs/dbraw/zinc/64/47/67/570644767.db2.gz YXZLIURYEXPDHR-KRWDZBQOSA-N 0 3 388.964 5.303 40 0 GKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096962 570718402 /nfs/dbraw/zinc/71/84/02/570718402.db2.gz DWMBLMXBAOMOLC-RAVGUYNFSA-N 0 3 385.551 5.852 40 0 GKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096957 570718726 /nfs/dbraw/zinc/71/87/26/570718726.db2.gz DWMBLMXBAOMOLC-FWEHEUNISA-N 0 3 385.551 5.852 40 0 GKABHN CCOc1c(Br)cc(Br)cc1CNC1CCCCC1 ZINC000008253303 570765861 /nfs/dbraw/zinc/76/58/61/570765861.db2.gz FXHQOFDMUFUQIC-UHFFFAOYSA-N 0 3 391.147 5.033 40 0 GKABHN CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008227219 570766059 /nfs/dbraw/zinc/76/60/59/570766059.db2.gz JEPZWROAJKTLME-UHFFFAOYSA-N 0 3 389.120 5.444 40 0 GKABHN CC(C)(C)NCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730608 570863852 /nfs/dbraw/zinc/86/38/52/570863852.db2.gz AJRWITBDUGDTPS-UHFFFAOYSA-N 0 3 387.115 5.360 40 0 GKABHN CCOc1cc(CNCCc2ccccc2)c(Cl)cc1OCc1ccccc1 ZINC000036612568 570882573 /nfs/dbraw/zinc/88/25/73/570882573.db2.gz RYEFOCWKWKDYCO-UHFFFAOYSA-N 0 3 395.930 5.650 40 0 GKABHN CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccccc5)cc43)cc2)CC1 ZINC000004253160 570896337 /nfs/dbraw/zinc/89/63/37/570896337.db2.gz YMBNETKULXIEPR-UHFFFAOYSA-N 0 3 394.522 5.397 40 0 GKABHN Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401407 570924148 /nfs/dbraw/zinc/92/41/48/570924148.db2.gz JETCCNBMBUVXQE-UHFFFAOYSA-N 0 3 387.857 5.530 40 0 GKABHN CC(C)(C)c1[nH]c2ncccc2c1CN(CCc1ccccc1)Cc1ccncc1 ZINC000019083439 570956126 /nfs/dbraw/zinc/95/61/26/570956126.db2.gz JHZJNZJCTNAJNT-UHFFFAOYSA-N 0 3 398.554 5.500 40 0 GKABHN c1ccc(Cn2c3ccccc3c3c2[C@]2(c4ccccc4)CCCN2CC3)cc1 ZINC000021963914 570961163 /nfs/dbraw/zinc/96/11/63/570961163.db2.gz VSWZVHRGFRBFBY-HHHXNRCGSA-N 0 3 378.519 5.585 40 0 GKABHN CC(C)[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863317 570998484 /nfs/dbraw/zinc/99/84/84/570998484.db2.gz QTRIGFJYNKGEIO-QUMGSSFMSA-N 0 3 389.514 5.761 40 0 GKABHN CCOc1ccc([C@H](C)N(C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019532665 570999315 /nfs/dbraw/zinc/99/93/15/570999315.db2.gz GGTKCUJOSDLTRD-HRAATJIYSA-N 0 3 379.504 5.006 40 0 GKABHN CCCCCC[C@]1(O)C[C@@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898583 571004683 /nfs/dbraw/zinc/00/46/83/571004683.db2.gz XTXJCNLNKMWVKO-PZYJALBSSA-N 0 3 379.588 6.417 40 0 GKABHN C[C@@H](C(=O)n1c2ccccc2c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000054670903 571012409 /nfs/dbraw/zinc/01/24/09/571012409.db2.gz UYCLTBPWRCSHSX-FQEVSTJZSA-N 0 3 396.534 5.778 40 0 GKABHN CCOc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019532663 210260227 /nfs/dbraw/zinc/26/02/27/210260227.db2.gz GGTKCUJOSDLTRD-IIBYNOLFSA-N 0 3 379.504 5.006 40 0 GKABHN COc1ccccc1-c1ccccc1CN1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257272709 222767989 /nfs/dbraw/zinc/76/79/89/222767989.db2.gz NDMMPSVORZWQOZ-QHCPKHFHSA-N 0 3 387.527 5.160 40 0 GKABHN CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 ZINC000008602413 209788159 /nfs/dbraw/zinc/78/81/59/209788159.db2.gz DODQJNMQWMSYGS-QPLCGJKRSA-N 0 3 387.523 5.702 40 0 in-man GKABHN CC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866075 209188763 /nfs/dbraw/zinc/18/87/63/209188763.db2.gz HKJVXAYMDUGIOW-BJTUFNSYSA-N 0 3 387.523 5.385 40 0 GKABHN Cc1cc(C)c(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C/C=C/c2ccccc2)c(C)c1 ZINC000002761112 212062682 /nfs/dbraw/zinc/06/26/82/212062682.db2.gz WJULBBBAYTUOPP-PUPDWEOMSA-N 0 3 389.539 5.477 40 0 GKABHN c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2NC2CCCCC2)cc1 ZINC000005105034 204112618 /nfs/dbraw/zinc/11/26/18/204112618.db2.gz PIWBBRRXNVVFGQ-KAYWLYCHSA-N 0 3 395.550 5.943 40 0 GKABHN O=C1CCCCCCCCCC[C@@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000005851302 204153731 /nfs/dbraw/zinc/15/37/31/204153731.db2.gz VQMYAVZCQWJTBY-AREMUKBSSA-N 0 3 391.599 6.789 40 0 GKABHN CC[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000005923260 204157193 /nfs/dbraw/zinc/15/71/93/204157193.db2.gz VFFBJZCCXOYRNN-IZZNHLLZSA-N 0 3 389.539 5.057 40 0 GKABHN COc1ccc(CNCc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000007538326 204242159 /nfs/dbraw/zinc/24/21/59/204242159.db2.gz JMZZQLCHTAEFGG-UHFFFAOYSA-N 0 3 383.491 5.717 40 0 GKABHN COc1ccc(CNCc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000007538309 204243102 /nfs/dbraw/zinc/24/31/02/204243102.db2.gz ZEMIPDKQHNGHBY-UHFFFAOYSA-N 0 3 397.902 5.226 40 0 GKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 ZINC000008471938 204276315 /nfs/dbraw/zinc/27/63/15/204276315.db2.gz GIKYAGXBPQEIEF-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849495 205041169 /nfs/dbraw/zinc/04/11/69/205041169.db2.gz SPNBKJVYRBDDQT-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN c1csc(Nc2cccc([C@@H]3CCCN3Cc3cccc4ncccc34)n2)n1 ZINC000072375740 205338051 /nfs/dbraw/zinc/33/80/51/205338051.db2.gz OBXXRQMJWOKCIB-FQEVSTJZSA-N 0 3 387.512 5.167 40 0 GKABHN c1ccc(Cc2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)cc1 ZINC000257247384 206166421 /nfs/dbraw/zinc/16/64/21/206166421.db2.gz IYUFKJSRFJVFCE-UHFFFAOYSA-N 0 3 393.534 5.600 40 0 GKABHN CN(C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000001621258 206387776 /nfs/dbraw/zinc/38/77/76/206387776.db2.gz WYGCOYQHBPYZLI-SFHVURJKSA-N 0 3 395.717 5.457 40 0 GKABHN c1csc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375355 211106061 /nfs/dbraw/zinc/10/60/61/211106061.db2.gz RKFRKBCYFYNFJS-FQEVSTJZSA-N 0 3 387.512 5.167 40 0 GKABHN Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375354 211105177 /nfs/dbraw/zinc/10/51/77/211105177.db2.gz GQIFVGDUWZNBKE-HSZRJFAPSA-N 0 3 395.510 5.414 40 0 GKABHN Clc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348830 211094535 /nfs/dbraw/zinc/09/45/35/211094535.db2.gz OVLZWAZWZNBFIE-HXUWFJFHSA-N 0 3 377.919 5.100 40 0 GKABHN Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000020043320 207176465 /nfs/dbraw/zinc/17/64/65/207176465.db2.gz SFLAOTGWYFZTPP-SANMLTNESA-N 0 3 398.550 5.500 40 0 GKABHN Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000019932051 207170988 /nfs/dbraw/zinc/17/09/88/207170988.db2.gz HUEKPEYJQNJNFQ-RUZDIDTESA-N 0 3 384.523 5.110 40 0 GKABHN CCn1c2ccccc2c2cc(CN3CCN(C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)ccc21 ZINC000022032194 207245411 /nfs/dbraw/zinc/24/54/11/207245411.db2.gz XXBYUKOZMOTUIR-WWNPGLIZSA-N 0 3 399.582 5.144 40 0 GKABHN Fc1ccc(COc2ccc(Br)cc2CNC2CCCC2)cc1 ZINC000022074263 207245860 /nfs/dbraw/zinc/24/58/60/207245860.db2.gz BQINNABQLVNIAM-UHFFFAOYSA-N 0 3 378.285 5.199 40 0 GKABHN CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030938186 207377406 /nfs/dbraw/zinc/37/74/06/207377406.db2.gz CSBGTWYLVQFRMK-HXUWFJFHSA-N 0 3 384.951 5.533 40 0 GKABHN Cc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000007525175 221001445 /nfs/dbraw/zinc/00/14/45/221001445.db2.gz SKHSLWGIEBCBJF-UHFFFAOYSA-N 0 3 386.322 6.171 40 0 GKABHN CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008325941 221037281 /nfs/dbraw/zinc/03/72/81/221037281.db2.gz KECBXWYQKDIMDG-CYBMUJFWSA-N 0 3 382.729 5.570 40 0 GKABHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008470505 221042673 /nfs/dbraw/zinc/04/26/73/221042673.db2.gz DGPOWZZIWINWBW-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN CN1C[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000013635311 221278554 /nfs/dbraw/zinc/27/85/54/221278554.db2.gz JABONFOKZVPFLG-RPBOFIJWSA-N 0 3 379.503 5.572 40 0 GKABHN Clc1ccc(COc2ccc(CNCc3cccs3)cc2)c(Cl)c1 ZINC000016430646 221363389 /nfs/dbraw/zinc/36/33/89/221363389.db2.gz LHNUUVAUWMRYAO-UHFFFAOYSA-N 0 3 378.324 5.924 40 0 GKABHN Clc1ccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348870 222235152 /nfs/dbraw/zinc/23/51/52/222235152.db2.gz LXDCMKZKFOVOKG-HXUWFJFHSA-N 0 3 377.919 5.100 40 0 GKABHN Clc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348960 222235351 /nfs/dbraw/zinc/23/53/51/222235351.db2.gz NIYHIITXCCPOLW-LJQANCHMSA-N 0 3 377.919 5.100 40 0 GKABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072354562 222238010 /nfs/dbraw/zinc/23/80/10/222238010.db2.gz MFGFDXNEZYFKEE-LJQANCHMSA-N 0 3 398.432 5.082 40 0 GKABHN Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000019932049 570231348 /nfs/dbraw/zinc/23/13/48/570231348.db2.gz HUEKPEYJQNJNFQ-VWLOTQADSA-N 0 3 384.523 5.110 40 0 GKABHN Clc1ccccc1N1CCN(c2c3ccccc3nc3c2CCCCC3)CC1 ZINC000001699186 570267364 /nfs/dbraw/zinc/26/73/64/570267364.db2.gz GLEPAAXOOUSYRF-UHFFFAOYSA-N 0 3 391.946 5.484 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000101121661 570281159 /nfs/dbraw/zinc/28/11/59/570281159.db2.gz NTQGEZJOMVFLMK-LVEBQJTPSA-N 0 3 375.487 5.468 40 0 GKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022074146 570304848 /nfs/dbraw/zinc/30/48/48/570304848.db2.gz SUZSXNZFFYAKPO-SFHVURJKSA-N 0 3 395.930 6.169 40 0 GKABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215627 570313714 /nfs/dbraw/zinc/31/37/14/570313714.db2.gz FYDGJCROILLXAT-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 ZINC000072214580 570314748 /nfs/dbraw/zinc/31/47/48/570314748.db2.gz HAJKASUXVULYKG-HXUWFJFHSA-N 0 3 389.584 5.662 40 0 GKABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214607 570314886 /nfs/dbraw/zinc/31/48/86/570314886.db2.gz ADZULHKLTJBYAS-FQEVSTJZSA-N 0 3 381.520 5.180 40 0 GKABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214848 570314961 /nfs/dbraw/zinc/31/49/61/570314961.db2.gz KTCFOJUQAIFQAA-OAQYLSRUSA-N 0 3 395.547 5.569 40 0 GKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072214578 570315100 /nfs/dbraw/zinc/31/51/00/570315100.db2.gz CWPVSFMUIIDUAZ-IBGZPJMESA-N 0 3 375.557 5.415 40 0 GKABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214645 570315107 /nfs/dbraw/zinc/31/51/07/570315107.db2.gz DEVNVXJSJKUVFS-OAQYLSRUSA-N 0 3 395.547 5.570 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072215154 570315227 /nfs/dbraw/zinc/31/52/27/570315227.db2.gz FYSDTSBIVHZWDT-PKOBYXMFSA-N 0 3 375.557 5.557 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CCCC ZINC000072215043 570315346 /nfs/dbraw/zinc/31/53/46/570315346.db2.gz KTENESSMHFYKNM-LJQANCHMSA-N 0 3 375.557 5.560 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CCCC)cn1 ZINC000072214983 570315474 /nfs/dbraw/zinc/31/54/74/570315474.db2.gz AWDXUDIULIWJAP-LJQANCHMSA-N 0 3 375.557 5.560 40 0 GKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215126 570315478 /nfs/dbraw/zinc/31/54/78/570315478.db2.gz FZDRVOARGHCRRW-HKUYNNGSSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CCCC)cn1 ZINC000072214984 570315488 /nfs/dbraw/zinc/31/54/88/570315488.db2.gz AWDXUDIULIWJAP-IBGZPJMESA-N 0 3 375.557 5.560 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072215060 570315510 /nfs/dbraw/zinc/31/55/10/570315510.db2.gz LQFJFUZKGPBYTC-FQEVSTJZSA-N 0 3 389.584 5.806 40 0 GKABHN CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215583 570315787 /nfs/dbraw/zinc/31/57/87/570315787.db2.gz JXACZEJKYAVPFT-FQEVSTJZSA-N 0 3 387.568 5.701 40 0 GKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215271 570315791 /nfs/dbraw/zinc/31/57/91/570315791.db2.gz IJIFHVIXKRFLBL-AZUAARDMSA-N 0 3 389.584 5.949 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072215267 570315808 /nfs/dbraw/zinc/31/58/08/570315808.db2.gz USZZUPMZZKFOGZ-QUCCMNQESA-N 0 3 389.584 5.805 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C ZINC000072215233 570315842 /nfs/dbraw/zinc/31/58/42/570315842.db2.gz KMIFNHOVBNKCGD-MJGOQNOKSA-N 0 3 375.557 5.415 40 0 GKABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215465 570315902 /nfs/dbraw/zinc/31/59/02/570315902.db2.gz OXIBIYSZSDPVCR-FQEVSTJZSA-N 0 3 387.568 5.559 40 0 GKABHN CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215802 570316450 /nfs/dbraw/zinc/31/64/50/570316450.db2.gz RUDIRUFWUXTTEB-FQEVSTJZSA-N 0 3 381.520 5.700 40 0 GKABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215741 570316488 /nfs/dbraw/zinc/31/64/88/570316488.db2.gz WYAUAIXFSUEJMM-HXUWFJFHSA-N 0 3 387.568 5.701 40 0 GKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215808 570316695 /nfs/dbraw/zinc/31/66/95/570316695.db2.gz BHJGWGZHZQHXHT-NRFANRHFSA-N 0 3 395.547 6.092 40 0 GKABHN C[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076563 570320963 /nfs/dbraw/zinc/32/09/63/570320963.db2.gz RXJHWJVVFQJHSU-RNODOKPDSA-N 0 3 376.283 5.465 40 0 GKABHN CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075817 570321618 /nfs/dbraw/zinc/32/16/18/570321618.db2.gz FQZVJFCGSWZQJS-UHFFFAOYSA-N 0 3 381.347 5.004 40 0 GKABHN CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075805 570321668 /nfs/dbraw/zinc/32/16/68/570321668.db2.gz OMPICHRJKAETSP-UHFFFAOYSA-N 0 3 381.347 5.004 40 0 GKABHN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044905750 570322626 /nfs/dbraw/zinc/32/26/26/570322626.db2.gz BMEZBAFJWSWZDW-ICSRJNTNSA-N 0 3 384.951 5.046 40 0 GKABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4ccccc4)n3)CC2)cc1 ZINC000072349934 570339085 /nfs/dbraw/zinc/33/90/85/570339085.db2.gz NIGLHDZPKKRVIL-UHFFFAOYSA-N 0 3 399.538 5.010 40 0 GKABHN C[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375784 570372124 /nfs/dbraw/zinc/37/21/24/570372124.db2.gz NTQGEZJOMVFLMK-URPHZZJISA-N 0 3 375.487 5.468 40 0 GKABHN O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222813504 570427087 /nfs/dbraw/zinc/42/70/87/570427087.db2.gz PLEGMWXGZOAMCJ-JOCHJYFZSA-N 0 3 392.930 5.022 40 0 GKABHN O=C(NCc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222889781 570430265 /nfs/dbraw/zinc/43/02/65/570430265.db2.gz HTFWUPVOLRVGEM-OAQYLSRUSA-N 0 3 392.930 5.022 40 0 GKABHN Cc1ccc(C[C@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389732 570437097 /nfs/dbraw/zinc/43/70/97/570437097.db2.gz SNEWFNDFZYCYJL-VPBXCIAMSA-N 0 3 378.560 5.005 40 0 GKABHN Cc1ccc(C[C@@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389729 570437316 /nfs/dbraw/zinc/43/73/16/570437316.db2.gz SNEWFNDFZYCYJL-ZYQDXHPFSA-N 0 3 378.560 5.005 40 0 GKABHN COc1ccc([C@@H]([C@@H](C(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 ZINC000005513921 570443587 /nfs/dbraw/zinc/44/35/87/570443587.db2.gz QTGOYTKXAXTLMO-UIOOFZCWSA-N 0 3 399.534 5.889 40 0 GKABHN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220689 570452631 /nfs/dbraw/zinc/45/26/31/570452631.db2.gz PPMNAZBZKZOOGX-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220924 570452668 /nfs/dbraw/zinc/45/26/68/570452668.db2.gz GFVHAXJDPCZWTP-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220411 570452820 /nfs/dbraw/zinc/45/28/20/570452820.db2.gz ZYDHNFVMWDMPNL-FQEVSTJZSA-N 0 3 384.951 5.533 40 0 GKABHN CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220408 570452839 /nfs/dbraw/zinc/45/28/39/570452839.db2.gz ZYDHNFVMWDMPNL-HXUWFJFHSA-N 0 3 384.951 5.533 40 0 GKABHN Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000035289773 570455313 /nfs/dbraw/zinc/45/53/13/570455313.db2.gz ZNAUKODTZWVNAR-SEJPIABJSA-N 0 3 397.563 5.006 40 0 GKABHN CC[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000005932910 570462121 /nfs/dbraw/zinc/46/21/21/570462121.db2.gz VFFBJZCCXOYRNN-CLJLJLNGSA-N 0 3 389.539 5.057 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 ZINC000030758702 570495708 /nfs/dbraw/zinc/49/57/08/570495708.db2.gz UBWKNFCZIPKSAZ-UHFFFAOYSA-N 0 3 377.315 5.478 40 0 GKABHN CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883127 570498359 /nfs/dbraw/zinc/49/83/59/570498359.db2.gz JGDNRLBXMNRJNU-UHFFFAOYSA-N 0 3 388.722 5.086 40 0 GKABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938665 570501282 /nfs/dbraw/zinc/50/12/82/570501282.db2.gz DGMJHJREIJGBQG-AWEZNQCLSA-N 0 3 397.733 5.498 40 0 GKABHN CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030938188 570501574 /nfs/dbraw/zinc/50/15/74/570501574.db2.gz CSBGTWYLVQFRMK-FQEVSTJZSA-N 0 3 384.951 5.533 40 0 GKABHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1 ZINC000008254086 570526073 /nfs/dbraw/zinc/52/60/73/570526073.db2.gz STVGYXLWVCBQCO-UHFFFAOYSA-N 0 3 387.932 5.669 40 0 GKABHN COc1cc(CNCc2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000008471361 570532045 /nfs/dbraw/zinc/53/20/45/570532045.db2.gz YSXJQZSNXNSJSC-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008534250 570533206 /nfs/dbraw/zinc/53/32/06/570533206.db2.gz ZTHYRSPMRXISLR-KRWDZBQOSA-N 0 3 381.903 5.778 40 0 GKABHN C[C@H](NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000008534270 570533329 /nfs/dbraw/zinc/53/33/29/570533329.db2.gz KOTUOYWTMPELMV-INIZCTEOSA-N 0 3 386.322 6.423 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008535324 570533441 /nfs/dbraw/zinc/53/34/41/570533441.db2.gz DGHMGMLVROPEJG-MRXNPFEDSA-N 0 3 399.893 5.918 40 0 GKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225503431 570581109 /nfs/dbraw/zinc/58/11/09/570581109.db2.gz INPUSHHTQMKDMV-UHFFFAOYSA-N 0 3 392.543 5.002 40 0 GKABHN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834051 570585804 /nfs/dbraw/zinc/58/58/04/570585804.db2.gz PKZOZDHWPBOHCM-LJQANCHMSA-N 0 3 378.903 5.344 40 0 GKABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000038849663 570587828 /nfs/dbraw/zinc/58/78/28/570587828.db2.gz UBJNHDWSTLKBSW-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C ZINC000044856410 570636538 /nfs/dbraw/zinc/63/65/38/570636538.db2.gz DFQPVZVYTTUBIP-NRFANRHFSA-N 0 3 398.550 5.353 40 0 GKABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1C ZINC000004857215 570638507 /nfs/dbraw/zinc/63/85/07/570638507.db2.gz FQBNDSJMJYUEHD-FRIKZZABSA-N 0 3 393.600 5.176 40 0 GKABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000044906062 570641574 /nfs/dbraw/zinc/64/15/74/570641574.db2.gz HUOYBFMVBONZAO-GHTZIAJQSA-N 0 3 396.550 5.213 40 0 GKABHN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044905746 570641639 /nfs/dbraw/zinc/64/16/39/570641639.db2.gz BMEZBAFJWSWZDW-AZUAARDMSA-N 0 3 384.951 5.046 40 0 GKABHN CC(C)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000004883292 570642897 /nfs/dbraw/zinc/64/28/97/570642897.db2.gz UEUCDHQCMWKELY-SEJPIABJSA-N 0 3 397.588 5.579 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 ZINC000044935045 570643815 /nfs/dbraw/zinc/64/38/15/570643815.db2.gz GOKIVNUZCNTYBF-OAQYLSRUSA-N 0 3 398.550 5.353 40 0 GKABHN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044936637 570644236 /nfs/dbraw/zinc/64/42/36/570644236.db2.gz OAYUPJZVXUAENB-FYYLOGMGSA-N 0 3 398.978 5.456 40 0 GKABHN CCSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044938510 570644937 /nfs/dbraw/zinc/64/49/37/570644937.db2.gz YXZLIURYEXPDHR-QGZVFWFLSA-N 0 3 388.964 5.303 40 0 GKABHN CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNC3CCCCC3)cc12 ZINC000005001330 570651719 /nfs/dbraw/zinc/65/17/19/570651719.db2.gz SMSIJTGURQLIAN-UHFFFAOYSA-N 0 3 396.966 5.794 40 0 GKABHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013668940 570769848 /nfs/dbraw/zinc/76/98/48/570769848.db2.gz CVGZYELWLCXMEL-LJQANCHMSA-N 0 3 378.560 5.461 40 0 GKABHN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010326014 570789277 /nfs/dbraw/zinc/78/92/77/570789277.db2.gz NYTIPERMIWDHAJ-UHFFFAOYSA-N 0 3 386.495 5.717 40 0 GKABHN Fc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000016399629 570924132 /nfs/dbraw/zinc/92/41/32/570924132.db2.gz PTMCVORLERKPFZ-UHFFFAOYSA-N 0 3 390.285 6.001 40 0 GKABHN CCc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O ZINC000036614395 570943039 /nfs/dbraw/zinc/94/30/39/570943039.db2.gz INNVAFCCUUWNAL-XWGVYQGASA-N 0 3 399.962 5.476 40 0 GKABHN CN1CCN(Cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccn32)CC1 ZINC000019681892 570950921 /nfs/dbraw/zinc/95/09/21/570950921.db2.gz DNTUJNHBAUJIIH-UHFFFAOYSA-N 0 3 381.523 5.021 40 0 GKABHN c1ccc(Cn2c3ccccc3c3c2[C@@]2(c4ccccc4)CCCN2CC3)cc1 ZINC000021963909 570961294 /nfs/dbraw/zinc/96/12/94/570961294.db2.gz VSWZVHRGFRBFBY-MHZLTWQESA-N 0 3 378.519 5.585 40 0 GKABHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C)C)c(C)c1 ZINC000090501528 570997335 /nfs/dbraw/zinc/99/73/35/570997335.db2.gz TYGUQXPQLFFAMR-DQEYMECFSA-N 0 3 387.523 5.813 40 0 GKABHN COc1ccc(CN(Cc2cccs2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554815 571002955 /nfs/dbraw/zinc/00/29/55/571002955.db2.gz OWDCGJPVXFZSQS-XZOQPEGZSA-N 0 3 397.515 5.081 40 0 GKABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096053032 571097598 /nfs/dbraw/zinc/09/75/98/571097598.db2.gz GOHARUVZMNVZRC-FQEVSTJZSA-N 0 3 396.600 5.028 40 0 GKABHN Cc1ccsc1-c1nnc(C2CCN(Cc3ccnc4ccccc34)CC2)o1 ZINC000019238734 210235990 /nfs/dbraw/zinc/23/59/90/210235990.db2.gz YCAVRCXKOQIEDG-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN Clc1ccc(OCc2ccccc2Cl)c(CNCCc2ccccc2)c1 ZINC000016479343 210191269 /nfs/dbraw/zinc/19/12/69/210191269.db2.gz WTWVWUUOPWHRKE-UHFFFAOYSA-N 0 3 386.322 5.905 40 0 GKABHN CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1 ZINC000001997217 209343944 /nfs/dbraw/zinc/34/39/44/209343944.db2.gz ZQZFYGIXNQKOAV-QPLCGJKRSA-N 0 3 387.523 5.702 40 0 GKABHN CC(C)[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863316 204083601 /nfs/dbraw/zinc/08/36/01/204083601.db2.gz QTRIGFJYNKGEIO-CQJMVLFOSA-N 0 3 389.514 5.761 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008535305 204279906 /nfs/dbraw/zinc/27/99/06/204279906.db2.gz IIJBELHQTIIHJX-MRXNPFEDSA-N 0 3 399.893 5.918 40 0 GKABHN C[C@@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000008535333 204279637 /nfs/dbraw/zinc/27/96/37/204279637.db2.gz FMDMCZDRWUYUBA-MRXNPFEDSA-N 0 3 386.322 6.423 40 0 GKABHN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855270 205088048 /nfs/dbraw/zinc/08/80/48/205088048.db2.gz TZAHEXAZCMWFBB-QFIPXVFZSA-N 0 3 392.543 5.013 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934752 205091401 /nfs/dbraw/zinc/09/14/01/205091401.db2.gz ALHFAOPHNIFHSO-AZUAARDMSA-N 0 3 384.951 5.046 40 0 GKABHN Clc1ccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348871 205330916 /nfs/dbraw/zinc/33/09/16/205330916.db2.gz LXDCMKZKFOVOKG-FQEVSTJZSA-N 0 3 377.919 5.100 40 0 GKABHN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccn2)C1 ZINC000008636071 205794837 /nfs/dbraw/zinc/79/48/37/205794837.db2.gz GYKXJBFAWFYJFV-FGZHOGPDSA-N 0 3 386.543 5.209 40 0 biogenic,in-vitro GKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)c1 ZINC000224529949 206022426 /nfs/dbraw/zinc/02/24/26/206022426.db2.gz MTGMAAYHWKTSQE-UHFFFAOYSA-N 0 3 384.523 5.098 40 0 GKABHN O=C(Nc1ccccc1)N1CCC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 ZINC000096214632 211320515 /nfs/dbraw/zinc/32/05/15/211320515.db2.gz AIHATYLWQGRURD-JOCHJYFZSA-N 0 3 383.923 5.003 40 0 GKABHN c1ccc(Nc2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)nc1 ZINC000072374249 211104936 /nfs/dbraw/zinc/10/49/36/211104936.db2.gz FVKWPWYCMUQUDC-UHFFFAOYSA-N 0 3 395.510 5.148 40 0 GKABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072358109 211098636 /nfs/dbraw/zinc/09/86/36/211098636.db2.gz KIZFIDYXOQWWQU-AREMUKBSSA-N 0 3 399.538 5.276 40 0 GKABHN O=C(c1ccccc1)[C@@H]([C@H](c1cccs1)N1CCCCC1)N1CCCCC1 ZINC000022032121 207244840 /nfs/dbraw/zinc/24/48/40/207244840.db2.gz RNVACNZJXVZXMZ-FCHUYYIVSA-N 0 3 382.573 5.013 40 0 GKABHN Cc1ccc(-c2nnc(C3CCN(Cc4cccc5cccnc54)CC3)o2)s1 ZINC000072389941 208011162 /nfs/dbraw/zinc/01/11/62/208011162.db2.gz DYNMGEOPPGNPMF-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN Fc1cccc(CN2C[C@H](c3cc(C(F)F)n[nH]3)[C@@H](c3ccccc3)C2)c1F ZINC000072389758 208013155 /nfs/dbraw/zinc/01/31/55/208013155.db2.gz HRNBRBYDOOCVIY-CVEARBPZSA-N 0 3 389.396 5.009 40 0 GKABHN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020491197 210341411 /nfs/dbraw/zinc/34/14/11/210341411.db2.gz RTXHIEOWWNRSIN-AREMUKBSSA-N 0 3 396.534 5.052 40 0 GKABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223068899 208891848 /nfs/dbraw/zinc/89/18/48/208891848.db2.gz AOSAUWUSYNLGBG-RUZDIDTESA-N 0 3 390.571 5.432 40 0 GKABHN c1ccc(Nc2cccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)nc1 ZINC000257222037 209057296 /nfs/dbraw/zinc/05/72/96/209057296.db2.gz DRQFXBJMTYZZQE-UHFFFAOYSA-N 0 3 395.510 5.148 40 0 GKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008254549 221033074 /nfs/dbraw/zinc/03/30/74/221033074.db2.gz HPLXDJMIZJMTNK-SFHVURJKSA-N 0 3 395.930 6.169 40 0 GKABHN C[C@H](O)CNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008497856 221043247 /nfs/dbraw/zinc/04/32/47/221043247.db2.gz AQSMISLADGCHHH-AWEZNQCLSA-N 0 3 390.310 5.196 40 0 GKABHN COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccccc1Cl ZINC000008495590 221043835 /nfs/dbraw/zinc/04/38/35/221043835.db2.gz UFGAWYHOWAXRIA-UHFFFAOYSA-N 0 3 399.893 5.399 40 0 GKABHN Clc1ccc(COc2cccc(CNCc3cccs3)c2)c(Cl)c1 ZINC000016399632 221361931 /nfs/dbraw/zinc/36/19/31/221361931.db2.gz ARFSYQGBYBWTNM-UHFFFAOYSA-N 0 3 378.324 5.924 40 0 GKABHN Cc1ccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)s1 ZINC000057774463 222036520 /nfs/dbraw/zinc/03/65/20/222036520.db2.gz UVOGFUPMJYGFQX-CYBMUJFWSA-N 0 3 395.450 5.300 40 0 GKABHN Clc1ccccc1Cc1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348868 222234296 /nfs/dbraw/zinc/23/42/96/222234296.db2.gz LQJHQGUMXHBHEJ-FQEVSTJZSA-N 0 3 377.919 5.100 40 0 GKABHN Cc1cccnc1Nc1ccc([C@@H]2CCCN2Cc2ccnc3ccccc23)nc1 ZINC000072353100 222237957 /nfs/dbraw/zinc/23/79/57/222237957.db2.gz GKWIBSVZUQSREJ-DEOSSOPVSA-N 0 3 395.510 5.414 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000020494936 570263718 /nfs/dbraw/zinc/26/37/18/570263718.db2.gz LPFXLMJUODRXGG-HXUWFJFHSA-N 0 3 384.523 5.044 40 0 GKABHN CC[C@H](c1ccccc1)[C@@H](c1ccc(OCCN(C)C)cc1)c1cccc(O)c1 ZINC000584578240 570311445 /nfs/dbraw/zinc/31/14/45/570311445.db2.gz QAYFBVRNOWKIHB-FTJBHMTQSA-N 0 3 389.539 5.658 40 0 GKABHN CC[C@@H](c1ccccc1)[C@H](c1ccc(OCCN(C)C)cc1)c1cccc(O)c1 ZINC000584578241 570311832 /nfs/dbraw/zinc/31/18/32/570311832.db2.gz QAYFBVRNOWKIHB-IZZNHLLZSA-N 0 3 389.539 5.658 40 0 GKABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215625 570313677 /nfs/dbraw/zinc/31/36/77/570313677.db2.gz JOSMZNDWXDHMTD-HXUWFJFHSA-N 0 3 387.568 5.559 40 0 GKABHN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214465 570314618 /nfs/dbraw/zinc/31/46/18/570314618.db2.gz UDDZBUWFCDFDDC-HXUWFJFHSA-N 0 3 381.520 5.180 40 0 GKABHN CCCCN1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214582 570314805 /nfs/dbraw/zinc/31/48/05/570314805.db2.gz SASVGWMDBHJQCT-HXUWFJFHSA-N 0 3 389.584 5.806 40 0 GKABHN CCCN1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214576 570315007 /nfs/dbraw/zinc/31/50/07/570315007.db2.gz OAWNKUFBXOEPFZ-LJQANCHMSA-N 0 3 375.557 5.416 40 0 GKABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072214760 570315016 /nfs/dbraw/zinc/31/50/16/570315016.db2.gz AZFUTLGXSPAJTI-IBGZPJMESA-N 0 3 375.557 5.416 40 0 GKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214667 570315078 /nfs/dbraw/zinc/31/50/78/570315078.db2.gz NRUSYKIHDAGRIU-NRFANRHFSA-N 0 3 395.547 5.570 40 0 GKABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215150 570315291 /nfs/dbraw/zinc/31/52/91/570315291.db2.gz XHNAJCRHCOEWQH-HKUYNNGSSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215125 570315336 /nfs/dbraw/zinc/31/53/36/570315336.db2.gz FZDRVOARGHCRRW-PKOBYXMFSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 ZINC000072215001 570315382 /nfs/dbraw/zinc/31/53/82/570315382.db2.gz BXUVKLMJSRFHRZ-HXUWFJFHSA-N 0 3 389.584 5.806 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072215151 570315494 /nfs/dbraw/zinc/31/54/94/570315494.db2.gz FYSDTSBIVHZWDT-MJGOQNOKSA-N 0 3 375.557 5.557 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072215061 570315547 /nfs/dbraw/zinc/31/55/47/570315547.db2.gz LQFJFUZKGPBYTC-HXUWFJFHSA-N 0 3 389.584 5.806 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C ZINC000072215234 570315804 /nfs/dbraw/zinc/31/58/04/570315804.db2.gz KMIFNHOVBNKCGD-HKUYNNGSSA-N 0 3 375.557 5.415 40 0 GKABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215582 570315821 /nfs/dbraw/zinc/31/58/21/570315821.db2.gz JXACZEJKYAVPFT-HXUWFJFHSA-N 0 3 387.568 5.701 40 0 GKABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215237 570315836 /nfs/dbraw/zinc/31/58/36/570315836.db2.gz HEFNSROWNHATNS-PKOBYXMFSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215567 570316014 /nfs/dbraw/zinc/31/60/14/570316014.db2.gz AVUUJPOFFCNHIR-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215821 570316461 /nfs/dbraw/zinc/31/64/61/570316461.db2.gz ADQPGMBIWIFYRJ-NRFANRHFSA-N 0 3 395.547 6.092 40 0 GKABHN CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215818 570316515 /nfs/dbraw/zinc/31/65/15/570316515.db2.gz SSPPVEPSHCAYDD-HXUWFJFHSA-N 0 3 381.520 5.702 40 0 GKABHN C[C@@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076515 570320809 /nfs/dbraw/zinc/32/08/09/570320809.db2.gz MHMDAILTNWMDLK-ZUOKHONESA-N 0 3 376.283 5.465 40 0 GKABHN CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000219237124 570350033 /nfs/dbraw/zinc/35/00/33/570350033.db2.gz XBBUZZCVOOIAHF-UHFFFAOYSA-N 0 3 392.587 5.405 40 0 GKABHN Fc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 ZINC000057774535 570373609 /nfs/dbraw/zinc/37/36/09/570373609.db2.gz KVOHWEMCGBAPHU-UHFFFAOYSA-N 0 3 377.385 5.100 40 0 GKABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477951 570376756 /nfs/dbraw/zinc/37/67/56/570376756.db2.gz IBVUWOBSESRAEG-SSUZURRFSA-N 0 3 389.514 5.906 40 0 GKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477949 570376803 /nfs/dbraw/zinc/37/68/03/570376803.db2.gz IBVUWOBSESRAEG-CQJMVLFOSA-N 0 3 389.514 5.906 40 0 GKABHN O=C(c1ccccc1)[C@@H]([C@@H](c1cccs1)N1CCCCC1)N1CCCCC1 ZINC000019360973 570406631 /nfs/dbraw/zinc/40/66/31/570406631.db2.gz RNVACNZJXVZXMZ-FGZHOGPDSA-N 0 3 382.573 5.013 40 0 GKABHN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223102923 570443677 /nfs/dbraw/zinc/44/36/77/570443677.db2.gz KODOVPWSTWAWEH-RUZDIDTESA-N 0 3 390.571 5.045 40 0 GKABHN O=C(C1CCN(Cc2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039748574 570447112 /nfs/dbraw/zinc/44/71/12/570447112.db2.gz OXAMIOCCTSSMSC-UHFFFAOYSA-N 0 3 398.550 5.128 40 0 GKABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030938676 570501402 /nfs/dbraw/zinc/50/14/02/570501402.db2.gz IRSWWURYGSNYJB-AWEZNQCLSA-N 0 3 397.733 5.498 40 0 GKABHN Cc1cccc2c(SCCN3CCCCC3)nc(-c3ccc(F)cc3)nc12 ZINC000000877792 570505103 /nfs/dbraw/zinc/50/51/03/570505103.db2.gz ZDHZUQYWGGSBGY-UHFFFAOYSA-N 0 3 381.520 5.322 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1c(F)cccc1Cl ZINC000007538129 570507388 /nfs/dbraw/zinc/50/73/88/570507388.db2.gz IMUNCJLLWIEFJD-UHFFFAOYSA-N 0 3 399.893 5.665 40 0 GKABHN CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008325926 570528164 /nfs/dbraw/zinc/52/81/64/570528164.db2.gz OOESZQYMCFNJDK-CYBMUJFWSA-N 0 3 382.729 5.570 40 0 GKABHN O=C(NCc1ccccc1CN1CCCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000224824516 570532703 /nfs/dbraw/zinc/53/27/03/570532703.db2.gz SLFLJWPBXJCITF-UHFFFAOYSA-N 0 3 398.506 5.502 40 0 GKABHN C[C@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000008534261 570533354 /nfs/dbraw/zinc/53/33/54/570533354.db2.gz FMDMCZDRWUYUBA-INIZCTEOSA-N 0 3 386.322 6.423 40 0 GKABHN C[C@@H](NCc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000008535351 570533458 /nfs/dbraw/zinc/53/34/58/570533458.db2.gz YVFDXHMSEUOPDR-MRXNPFEDSA-N 0 3 386.322 6.423 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008534233 570533482 /nfs/dbraw/zinc/53/34/82/570533482.db2.gz IIJBELHQTIIHJX-INIZCTEOSA-N 0 3 399.893 5.918 40 0 GKABHN COc1ccc(CN(CCCn2ccnc2)Cc2c(C)oc3ccccc32)cc1 ZINC000036740172 570568453 /nfs/dbraw/zinc/56/84/53/570568453.db2.gz QJJHEPONVLJPCU-UHFFFAOYSA-N 0 3 389.499 5.039 40 0 GKABHN Cc1ccc([C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2)cc1 ZINC000038756211 570582576 /nfs/dbraw/zinc/58/25/76/570582576.db2.gz GFYUULBMSZCSDC-AREMUKBSSA-N 0 3 398.550 5.500 40 0 GKABHN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834052 570585630 /nfs/dbraw/zinc/58/56/30/570585630.db2.gz PKZOZDHWPBOHCM-IBGZPJMESA-N 0 3 378.903 5.344 40 0 GKABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834693 570585891 /nfs/dbraw/zinc/58/58/91/570585891.db2.gz WLQUECISZADRKY-HNNXBMFYSA-N 0 3 396.840 5.210 40 0 GKABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834694 570585980 /nfs/dbraw/zinc/58/59/80/570585980.db2.gz WLQUECISZADRKY-OAHLLOKOSA-N 0 3 396.840 5.210 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000038835043 570586647 /nfs/dbraw/zinc/58/66/47/570586647.db2.gz BOSLHSQYRDBLSJ-UHFFFAOYSA-N 0 3 377.315 5.478 40 0 GKABHN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849551 570587462 /nfs/dbraw/zinc/58/74/62/570587462.db2.gz ZBZRHVQYSPZUQW-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849782 570587482 /nfs/dbraw/zinc/58/74/82/570587482.db2.gz SWQZDQLFMBHTHW-HNNXBMFYSA-N 0 3 396.840 5.210 40 0 GKABHN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849552 570587737 /nfs/dbraw/zinc/58/77/37/570587737.db2.gz ZBZRHVQYSPZUQW-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044855419 570636448 /nfs/dbraw/zinc/63/64/48/570636448.db2.gz BRXZMQJERZATQN-QFIPXVFZSA-N 0 3 392.543 5.013 40 0 GKABHN S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000004887902 570642636 /nfs/dbraw/zinc/64/26/36/570642636.db2.gz CIBPDXAWJLPWAL-SEJPIABJSA-N 0 3 399.991 5.212 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)c1 ZINC000044936829 570644247 /nfs/dbraw/zinc/64/42/47/570644247.db2.gz LPTIOCAPCNPMSX-XMMPIXPASA-N 0 3 378.560 5.111 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc1 ZINC000044936837 570644284 /nfs/dbraw/zinc/64/42/84/570644284.db2.gz ZZRMAZOVYQOXEQ-XMMPIXPASA-N 0 3 378.560 5.111 40 0 GKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1 ZINC000044935892 570644373 /nfs/dbraw/zinc/64/43/73/570644373.db2.gz QGKRAFXTKBUXFF-SANMLTNESA-N 0 3 398.550 5.434 40 0 GKABHN COc1ccc(Cl)c2c(=O)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[n-]c12 ZINC000008717472 570681561 /nfs/dbraw/zinc/68/15/61/570681561.db2.gz YHQYGLAGBBRZAZ-FPTDNZKUSA-N 0 3 388.939 5.311 40 0 GKABHN COc1ccc(Cl)c2c(=O)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[n-]c12 ZINC000008717472 570681565 /nfs/dbraw/zinc/68/15/65/570681565.db2.gz YHQYGLAGBBRZAZ-FPTDNZKUSA-N 0 3 388.939 5.311 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101121660 570714162 /nfs/dbraw/zinc/71/41/62/570714162.db2.gz NTQGEZJOMVFLMK-MGKKLRQFSA-N 0 3 375.487 5.468 40 0 GKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017080741 570918358 /nfs/dbraw/zinc/91/83/58/570918358.db2.gz SCJRVQGUQQNVAL-UHFFFAOYSA-N 0 3 394.902 5.838 40 0 GKABHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc3c(C)cccc3cn2)CC1 ZINC000019236695 570966588 /nfs/dbraw/zinc/96/65/88/570966588.db2.gz ZTEOFVOGRRWWHC-UHFFFAOYSA-N 0 3 376.548 5.317 40 0 GKABHN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccncc1 ZINC000409123801 231167510 /nfs/dbraw/zinc/16/75/10/231167510.db2.gz ICPRDZNYTNVOIR-DEDYPNTBSA-N 0 3 395.528 5.106 40 0 GKABHN O=C(c1ccccc1)[C@H]([C@@H](c1cccs1)N1CCCCC1)N1CCCCC1 ZINC000019360106 210244250 /nfs/dbraw/zinc/24/42/50/210244250.db2.gz RNVACNZJXVZXMZ-YADHBBJMSA-N 0 3 382.573 5.013 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000013786126 210090155 /nfs/dbraw/zinc/09/01/55/210090155.db2.gz BEWVWNGYSGPFME-PVUOONDNSA-N 0 3 391.942 5.726 40 0 GKABHN Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1 ZINC000000602172 212164464 /nfs/dbraw/zinc/16/44/64/212164464.db2.gz QDMAKDIDFJTXEL-UHFFFAOYSA-N 0 3 380.919 5.726 40 0 in-vivo GKABHN CCC(=O)OC1(c2ccccc2)CCN(C/C=C/c2cccc3ccccc23)CC1 ZINC000005964773 204160297 /nfs/dbraw/zinc/16/02/97/204160297.db2.gz FQWCYYRQVANHLG-UKTHLTGXSA-N 0 3 399.534 5.798 40 0 GKABHN CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 ZINC000005618945 204143210 /nfs/dbraw/zinc/14/32/10/204143210.db2.gz ARYQUDZGCDBUOR-UHFFFAOYSA-N 0 3 392.355 5.169 40 0 GKABHN CCOCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008253205 204268177 /nfs/dbraw/zinc/26/81/77/204268177.db2.gz VIKZXIGSMFAOAS-UHFFFAOYSA-N 0 3 398.330 5.097 40 0 GKABHN COc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1 ZINC000008474537 204277955 /nfs/dbraw/zinc/27/79/55/204277955.db2.gz ROQLSSARQVDMQL-UHFFFAOYSA-N 0 3 381.903 5.260 40 0 GKABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000038849662 205041151 /nfs/dbraw/zinc/04/11/51/205041151.db2.gz UBJNHDWSTLKBSW-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN Clc1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1 ZINC000072348869 205330434 /nfs/dbraw/zinc/33/04/34/205330434.db2.gz AQANWMLOTHFNNU-UHFFFAOYSA-N 0 3 377.919 5.100 40 0 GKABHN CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414974 206000193 /nfs/dbraw/zinc/00/01/93/206000193.db2.gz YGVFIEDMWIHAMY-FQEVSTJZSA-N 0 3 378.560 5.191 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)c1 ZINC000223469743 206001483 /nfs/dbraw/zinc/00/14/83/206001483.db2.gz QDKQNWAFBSKDGP-NRFANRHFSA-N 0 3 378.560 5.010 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000224879745 206029578 /nfs/dbraw/zinc/02/95/78/206029578.db2.gz NFMIWZCAWOZAHJ-UHFFFAOYSA-N 0 3 392.421 5.069 40 0 GKABHN CN1CCC(S[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000001624410 206387607 /nfs/dbraw/zinc/38/76/07/206387607.db2.gz JZNJGOKDPVHBAX-FQEVSTJZSA-N 0 3 375.990 5.916 40 0 GKABHN Cc1cc(Nc2cccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)no1 ZINC000072376162 211106343 /nfs/dbraw/zinc/10/63/43/211106343.db2.gz PXAHYXBNNBRAGR-UHFFFAOYSA-N 0 3 399.498 5.049 40 0 GKABHN Clc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000072348866 211095630 /nfs/dbraw/zinc/09/56/30/211095630.db2.gz REEGZDCRVDAUSM-UHFFFAOYSA-N 0 3 377.919 5.100 40 0 GKABHN Clc1ccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)cc1 ZINC000072348829 211095335 /nfs/dbraw/zinc/09/53/35/211095335.db2.gz ZVSOGTZSSOZNBJ-UHFFFAOYSA-N 0 3 377.919 5.100 40 0 GKABHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254009 206743427 /nfs/dbraw/zinc/74/34/27/206743427.db2.gz RIRRFPZDHCTOQG-UHFFFAOYSA-N 0 3 399.893 5.747 40 0 GKABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000044906063 210816911 /nfs/dbraw/zinc/81/69/11/210816911.db2.gz HUOYBFMVBONZAO-WIYYLYMNSA-N 0 3 396.550 5.213 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000019932193 207171712 /nfs/dbraw/zinc/17/17/12/207171712.db2.gz OWAKZURVFYCYOG-UHFFFAOYSA-N 0 3 377.315 5.478 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000030938759 207378638 /nfs/dbraw/zinc/37/86/38/207378638.db2.gz CWBYBTGEVOZUHU-UHFFFAOYSA-N 0 3 377.315 5.478 40 0 GKABHN c1ccc(CN[C@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000031719782 207385371 /nfs/dbraw/zinc/38/53/71/207385371.db2.gz MXHKBHYUIWOIKQ-MUUNZHRXSA-N 0 3 393.530 6.339 40 0 GKABHN O[C@H](c1ccccc1)[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000031923986 207389378 /nfs/dbraw/zinc/38/93/78/207389378.db2.gz ZGULMLKTCWGICW-HZFUHODCSA-N 0 3 393.530 6.035 40 0 GKABHN CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000007537873 221001095 /nfs/dbraw/zinc/00/10/95/221001095.db2.gz MLHXRJAAFCYZGV-UHFFFAOYSA-N 0 3 395.930 5.916 40 0 GKABHN COc1ccc(CNCc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000007538430 221001329 /nfs/dbraw/zinc/00/13/29/221001329.db2.gz LJTUKDFFYQALPN-UHFFFAOYSA-N 0 3 397.902 5.226 40 0 GKABHN CCOc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccccc1 ZINC000007539422 221001427 /nfs/dbraw/zinc/00/14/27/221001427.db2.gz QWWVDUOWCORRFP-UHFFFAOYSA-N 0 3 379.475 5.136 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008535322 221043672 /nfs/dbraw/zinc/04/36/72/221043672.db2.gz ZTHYRSPMRXISLR-QGZVFWFLSA-N 0 3 381.903 5.778 40 0 GKABHN Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000016449997 221363579 /nfs/dbraw/zinc/36/35/79/221363579.db2.gz VWZVPFQCVGBOCK-UHFFFAOYSA-N 0 3 387.857 5.530 40 0 GKABHN Clc1ccccc1COc1ccc2ccccc2c1CNC[C@H]1CCCO1 ZINC000016525886 221364646 /nfs/dbraw/zinc/36/46/46/221364646.db2.gz FJZNFQXTZBCKGF-LJQANCHMSA-N 0 3 381.903 5.341 40 0 GKABHN Clc1ccccc1COc1ccc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000016525884 221364894 /nfs/dbraw/zinc/36/48/94/221364894.db2.gz FJZNFQXTZBCKGF-IBGZPJMESA-N 0 3 381.903 5.341 40 0 GKABHN O=C(Nc1ccccc1)N1CCC[C@]2(CCCN2Cc2ccccc2Cl)C1 ZINC000096071370 222377338 /nfs/dbraw/zinc/37/73/38/222377338.db2.gz WMLMAIFNLNJFBZ-QFIPXVFZSA-N 0 3 383.923 5.003 40 0 GKABHN O=C(Nc1ccccc1)N1CCC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096214624 222398619 /nfs/dbraw/zinc/39/86/19/222398619.db2.gz NGUHJQYADNCEEH-JOCHJYFZSA-N 0 3 383.923 5.003 40 0 GKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000020455730 570259033 /nfs/dbraw/zinc/25/90/33/570259033.db2.gz HSSNKOYKEQORSX-RUZDIDTESA-N 0 3 384.523 5.126 40 0 GKABHN O=C(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000001724405 570267661 /nfs/dbraw/zinc/26/76/61/570267661.db2.gz HFMFEESTRDSKJX-UHFFFAOYSA-N 0 3 379.503 6.115 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000101682291 570284612 /nfs/dbraw/zinc/28/46/12/570284612.db2.gz BEWVWNGYSGPFME-LVEBQJTPSA-N 0 3 391.942 5.726 40 0 GKABHN COc1cccc(CNCCc2ccccc2F)c1OCc1ccc(Cl)cc1 ZINC000022074443 570304853 /nfs/dbraw/zinc/30/48/53/570304853.db2.gz IBNGCOGJRWXZOJ-UHFFFAOYSA-N 0 3 399.893 5.399 40 0 GKABHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1 ZINC000022074549 570304865 /nfs/dbraw/zinc/30/48/65/570304865.db2.gz HTSWXEQZFXXUKR-UHFFFAOYSA-N 0 3 399.893 5.399 40 0 GKABHN CC[C@H](c1ccccc1)[C@H](c1ccc(OCCN(C)C)cc1)c1cccc(O)c1 ZINC000584578238 570311540 /nfs/dbraw/zinc/31/15/40/570311540.db2.gz QAYFBVRNOWKIHB-CLJLJLNGSA-N 0 3 389.539 5.658 40 0 GKABHN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214464 570314553 /nfs/dbraw/zinc/31/45/53/570314553.db2.gz UDDZBUWFCDFDDC-FQEVSTJZSA-N 0 3 381.520 5.180 40 0 GKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072214581 570314930 /nfs/dbraw/zinc/31/49/30/570314930.db2.gz HAJKASUXVULYKG-FQEVSTJZSA-N 0 3 389.584 5.662 40 0 GKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072214700 570315133 /nfs/dbraw/zinc/31/51/33/570315133.db2.gz OONSKRQXSXUCRW-IBGZPJMESA-N 0 3 375.557 5.416 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072215155 570315426 /nfs/dbraw/zinc/31/54/26/570315426.db2.gz GZNTUPIVEZVJFD-QUCCMNQESA-N 0 3 389.584 5.805 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 ZINC000072215157 570315451 /nfs/dbraw/zinc/31/54/51/570315451.db2.gz GZNTUPIVEZVJFD-UYAOXDASSA-N 0 3 389.584 5.805 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CCCC ZINC000072215044 570315469 /nfs/dbraw/zinc/31/54/69/570315469.db2.gz KTENESSMHFYKNM-IBGZPJMESA-N 0 3 375.557 5.560 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072215156 570315539 /nfs/dbraw/zinc/31/55/39/570315539.db2.gz GZNTUPIVEZVJFD-ICSRJNTNSA-N 0 3 389.584 5.805 40 0 GKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215159 570315800 /nfs/dbraw/zinc/31/58/00/570315800.db2.gz TYAIGBPBJVISGT-AZUAARDMSA-N 0 3 389.584 5.949 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072215268 570315909 /nfs/dbraw/zinc/31/59/09/570315909.db2.gz USZZUPMZZKFOGZ-ICSRJNTNSA-N 0 3 389.584 5.805 40 0 GKABHN CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215698 570316539 /nfs/dbraw/zinc/31/65/39/570316539.db2.gz YYEQDVZUODFLEU-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215819 570316666 /nfs/dbraw/zinc/31/66/66/570316666.db2.gz SSPPVEPSHCAYDD-FQEVSTJZSA-N 0 3 381.520 5.702 40 0 GKABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215865 570317085 /nfs/dbraw/zinc/31/70/85/570317085.db2.gz HJSGVLMOQXKKGL-OAQYLSRUSA-N 0 3 395.547 5.948 40 0 GKABHN CCCCc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585290328 570321570 /nfs/dbraw/zinc/32/15/70/570321570.db2.gz VBRHFHNHKRHFCD-YTFSRNRJSA-N 0 3 387.951 5.133 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934758 570322384 /nfs/dbraw/zinc/32/23/84/570322384.db2.gz ALHFAOPHNIFHSO-ICSRJNTNSA-N 0 3 384.951 5.046 40 0 GKABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935605 570322611 /nfs/dbraw/zinc/32/26/11/570322611.db2.gz NFACPVZLNYPVAJ-RBBKRZOGSA-N 0 3 384.951 5.128 40 0 GKABHN CC(C)C(=O)N(c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000575598587 570327698 /nfs/dbraw/zinc/32/76/98/570327698.db2.gz YWHLYGSHOQKCJG-UHFFFAOYSA-N 0 3 384.951 5.036 40 0 in-vitro GKABHN O[C@H](c1ccccc1)[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004777721 570404962 /nfs/dbraw/zinc/40/49/62/570404962.db2.gz ZGULMLKTCWGICW-OZNIXHKMSA-N 0 3 393.530 6.035 40 0 GKABHN O=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1 ZINC000004888138 570415636 /nfs/dbraw/zinc/41/56/36/570415636.db2.gz FZZWAXQFDSERES-SEJPIABJSA-N 0 3 383.923 5.047 40 0 GKABHN CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223102982 570443673 /nfs/dbraw/zinc/44/36/73/570443673.db2.gz KODOVPWSTWAWEH-VWLOTQADSA-N 0 3 390.571 5.045 40 0 GKABHN COc1ccc([C@H]([C@H](C(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 ZINC000005513943 570443931 /nfs/dbraw/zinc/44/39/31/570443931.db2.gz QTGOYTKXAXTLMO-CLJLJLNGSA-N 0 3 399.534 5.889 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000039763676 570446112 /nfs/dbraw/zinc/44/61/12/570446112.db2.gz AKHRQPMHIQCGRK-UHFFFAOYSA-N 0 3 398.550 5.113 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039743488 570447019 /nfs/dbraw/zinc/44/70/19/570447019.db2.gz YJQBRJFPIFRNDZ-UHFFFAOYSA-N 0 3 398.550 5.113 40 0 GKABHN CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1 ZINC000005713692 570452591 /nfs/dbraw/zinc/45/25/91/570452591.db2.gz HHBOSDSCCNGTKS-UHFFFAOYSA-N 0 3 386.407 6.089 40 0 GKABHN CN(C)CCO[C@@](c1cccs1)(c1ccccc1)c1ccc2ccccc2n1 ZINC000005848649 570459305 /nfs/dbraw/zinc/45/93/05/570459305.db2.gz ONZPQLSPPCXUQE-DEOSSOPVSA-N 0 3 388.536 5.166 40 0 GKABHN CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414629 570464904 /nfs/dbraw/zinc/46/49/04/570464904.db2.gz IRVYCKFOWNIVGR-UHFFFAOYSA-N 0 3 378.560 5.190 40 0 GKABHN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000223458663 570467501 /nfs/dbraw/zinc/46/75/01/570467501.db2.gz RMNZCVXRWUGKOL-OAQYLSRUSA-N 0 3 378.560 5.335 40 0 GKABHN CCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007261262 570502187 /nfs/dbraw/zinc/50/21/87/570502187.db2.gz SNXCRLOZAWHYSE-UHFFFAOYSA-N 0 3 396.756 5.961 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1Cl ZINC000007538124 570507476 /nfs/dbraw/zinc/50/74/76/570507476.db2.gz KCYUEBCYZWFFAK-UHFFFAOYSA-N 0 3 399.893 5.665 40 0 GKABHN CCOc1cc(CNCc2cccs2)ccc1OCc1ccccc1Cl ZINC000008254716 570526141 /nfs/dbraw/zinc/52/61/41/570526141.db2.gz NAAQKFABAGEDNI-UHFFFAOYSA-N 0 3 387.932 5.669 40 0 GKABHN CC[C@H](C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008326687 570528274 /nfs/dbraw/zinc/52/82/74/570528274.db2.gz OOESZQYMCFNJDK-ZDUSSCGKSA-N 0 3 382.729 5.570 40 0 GKABHN C[C@H](NCc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000008534224 570533216 /nfs/dbraw/zinc/53/32/16/570533216.db2.gz FRYBPNKISNSRKL-IBGZPJMESA-N 0 3 385.482 6.409 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000008534255 570533488 /nfs/dbraw/zinc/53/34/88/570533488.db2.gz BKRFRQHFWIFSAX-KRWDZBQOSA-N 0 3 381.903 5.778 40 0 GKABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038835009 570586732 /nfs/dbraw/zinc/58/67/32/570586732.db2.gz HKAOFJHDWZMKBK-CQSZACIVSA-N 0 3 397.733 5.498 40 0 GKABHN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000225621788 570595073 /nfs/dbraw/zinc/59/50/73/570595073.db2.gz SKQLQCMAIXROLD-HXUWFJFHSA-N 0 3 398.550 5.298 40 0 GKABHN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855269 570636415 /nfs/dbraw/zinc/63/64/15/570636415.db2.gz TZAHEXAZCMWFBB-JOCHJYFZSA-N 0 3 392.543 5.013 40 0 GKABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856507 570636957 /nfs/dbraw/zinc/63/69/57/570636957.db2.gz YWZLVPZDJIFVBN-DEOSSOPVSA-N 0 3 378.560 5.091 40 0 GKABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1C ZINC000044856665 570637141 /nfs/dbraw/zinc/63/71/41/570637141.db2.gz REDKZASEHMCGJW-DEOSSOPVSA-N 0 3 378.560 5.091 40 0 GKABHN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000044905911 570641798 /nfs/dbraw/zinc/64/17/98/570641798.db2.gz JDVSDBPVURATJN-NRFANRHFSA-N 0 3 398.550 5.353 40 0 GKABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)c1C ZINC000008829091 570683225 /nfs/dbraw/zinc/68/32/25/570683225.db2.gz ACWGGJWVAVVDSN-YQQQUEKLSA-N 0 3 399.629 5.237 40 0 GKABHN CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637234 570716599 /nfs/dbraw/zinc/71/65/99/570716599.db2.gz JEKQPZGODPLINH-CXSMSNRLSA-N 0 3 375.487 5.515 40 0 GKABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096965 570718523 /nfs/dbraw/zinc/71/85/23/570718523.db2.gz DWMBLMXBAOMOLC-NFGXINMFSA-N 0 3 385.551 5.852 40 0 GKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371148 570741763 /nfs/dbraw/zinc/74/17/63/570741763.db2.gz XHNAJCRHCOEWQH-IEBWSBKVSA-N 0 3 375.557 5.559 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468150 570755697 /nfs/dbraw/zinc/75/56/97/570755697.db2.gz NTQGEZJOMVFLMK-PVUOONDNSA-N 0 3 375.487 5.468 40 0 GKABHN CCCCCCNCc1cc(Br)cc(Br)c1OCC ZINC000007260986 570757133 /nfs/dbraw/zinc/75/71/33/570757133.db2.gz BMSPPZRLLRJWMJ-UHFFFAOYSA-N 0 3 393.163 5.280 40 0 GKABHN CCOc1c(Cl)cc(Cl)cc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008253438 570765833 /nfs/dbraw/zinc/76/58/33/570765833.db2.gz AXQYWMUYNGJHAM-JHMRYYBSSA-N 0 3 382.375 6.087 40 0 GKABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000008534234 570769919 /nfs/dbraw/zinc/76/99/19/570769919.db2.gz NMOHMAGAQLEEDG-HNNXBMFYSA-N 0 3 387.932 5.840 40 0 GKABHN COc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008470270 570770281 /nfs/dbraw/zinc/77/02/81/570770281.db2.gz XNMMTPHZJBWWJK-UHFFFAOYSA-N 0 3 386.706 5.486 40 0 GKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000010330019 570789187 /nfs/dbraw/zinc/78/91/87/570789187.db2.gz WETJJVAYCUHXSE-UHFFFAOYSA-N 0 3 386.495 5.114 40 0 GKABHN CN1C[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000013635316 570862168 /nfs/dbraw/zinc/86/21/68/570862168.db2.gz JABONFOKZVPFLG-DQEYMECFSA-N 0 3 379.503 5.572 40 0 GKABHN Cc1ccsc1-c1nnc(C2CCN(Cc3ccc4ncccc4c3)CC2)o1 ZINC000019238725 570967727 /nfs/dbraw/zinc/96/77/27/570967727.db2.gz YQKAYJQJXYAEEM-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN CN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000242697064 231039907 /nfs/dbraw/zinc/03/99/07/231039907.db2.gz CYCKDQSMHMYGHN-UHFFFAOYSA-N 0 3 389.547 5.158 40 0 GKABHN CC(C)N(CCOc1ccccc1Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000001586352 209333375 /nfs/dbraw/zinc/33/33/75/209333375.db2.gz JYNROYWSNGVCPT-RUZDIDTESA-N 0 3 389.539 5.100 40 0 GKABHN CCCC[C@@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109023 204028001 /nfs/dbraw/zinc/02/80/01/204028001.db2.gz UJRIBUDZMNUBLS-QQJYNPJZSA-N 0 3 383.532 5.037 40 0 GKABHN c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2NC2CCCCC2)cc1 ZINC000005105036 204112800 /nfs/dbraw/zinc/11/28/00/204112800.db2.gz PIWBBRRXNVVFGQ-RRPNLBNLSA-N 0 3 395.550 5.943 40 0 GKABHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 ZINC000005151803 204115056 /nfs/dbraw/zinc/11/50/56/204115056.db2.gz BYWHFODVRVSDOY-PUHATCMVSA-N 0 3 385.935 5.217 40 0 GKABHN CCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000007261078 204237538 /nfs/dbraw/zinc/23/75/38/204237538.db2.gz BYDSJMYCDBLZRJ-UHFFFAOYSA-N 0 3 396.358 6.251 40 0 GKABHN CCCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007261663 204237972 /nfs/dbraw/zinc/23/79/72/204237972.db2.gz YYKOBSFHLAKQMP-UHFFFAOYSA-N 0 3 382.729 5.571 40 0 GKABHN C[C@@H](O)CNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008535041 204279821 /nfs/dbraw/zinc/27/98/21/204279821.db2.gz AQSMISLADGCHHH-CQSZACIVSA-N 0 3 390.310 5.196 40 0 GKABHN C[C@H](NCc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000008534227 204279841 /nfs/dbraw/zinc/27/98/41/204279841.db2.gz WCVMIZJDKKRQHE-IBGZPJMESA-N 0 3 385.482 6.409 40 0 GKABHN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038859850 205040747 /nfs/dbraw/zinc/04/07/47/205040747.db2.gz GYILZHBUMBPJKP-IBGZPJMESA-N 0 3 384.951 5.623 40 0 GKABHN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038856182 205041081 /nfs/dbraw/zinc/04/10/81/205041081.db2.gz BMUWTNNAFSQBKE-HXUWFJFHSA-N 0 3 384.951 5.316 40 0 GKABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)cc1C ZINC000044856720 205088077 /nfs/dbraw/zinc/08/80/77/205088077.db2.gz MCBWVNLZHJZTNE-XMMPIXPASA-N 0 3 378.560 5.416 40 0 GKABHN CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856505 205088148 /nfs/dbraw/zinc/08/81/48/205088148.db2.gz YJPQLEGOJQLXCF-DEOSSOPVSA-N 0 3 378.560 5.091 40 0 GKABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856508 205088405 /nfs/dbraw/zinc/08/84/05/205088405.db2.gz YWZLVPZDJIFVBN-XMMPIXPASA-N 0 3 378.560 5.091 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 ZINC000044935048 205090423 /nfs/dbraw/zinc/09/04/23/205090423.db2.gz GOKIVNUZCNTYBF-NRFANRHFSA-N 0 3 398.550 5.353 40 0 GKABHN Cc1cccnc1Nc1ccc([C@H]2CCCN2Cc2ccnc3ccccc23)nc1 ZINC000072353101 205331847 /nfs/dbraw/zinc/33/18/47/205331847.db2.gz GKWIBSVZUQSREJ-XMMPIXPASA-N 0 3 395.510 5.414 40 0 GKABHN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000223487849 206001648 /nfs/dbraw/zinc/00/16/48/206001648.db2.gz YTQKSPWJZPIAEK-PZJWPPBQSA-N 0 3 398.978 5.355 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)CC1 ZINC000224331997 206019087 /nfs/dbraw/zinc/01/90/87/206019087.db2.gz HQHVJSRNLASAMD-UHFFFAOYSA-N 0 3 399.538 5.157 40 0 GKABHN COc1ccc(CN2CCC[C@H]2c2cccc(Cc3cccc(OC)c3)n2)cc1 ZINC000072357533 211099083 /nfs/dbraw/zinc/09/90/83/211099083.db2.gz YOMDHWZRVOPJEB-VWLOTQADSA-N 0 3 388.511 5.027 40 0 GKABHN CCn1c2ccccc2c2cc(CN3CCN(C[C@@H]4C[C@@H]5C=C[C@H]4C5)CC3)ccc21 ZINC000019889658 207168083 /nfs/dbraw/zinc/16/80/83/207168083.db2.gz XXBYUKOZMOTUIR-PUHATCMVSA-N 0 3 399.582 5.144 40 0 GKABHN Cc1ccc([C@H](NC(=O)c2ccc(CN3CCCC3)cc2)c2ccccc2)cc1 ZINC000020492162 207198892 /nfs/dbraw/zinc/19/88/92/207198892.db2.gz CCCDVLCASYZCOE-RUZDIDTESA-N 0 3 384.523 5.110 40 0 GKABHN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCCC3)cc2)c2ccccc2)cc1 ZINC000020492161 207198918 /nfs/dbraw/zinc/19/89/18/207198918.db2.gz CCCDVLCASYZCOE-VWLOTQADSA-N 0 3 384.523 5.110 40 0 GKABHN COc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000022076613 207247486 /nfs/dbraw/zinc/24/74/86/207247486.db2.gz LXEMTRVAIBOROJ-UHFFFAOYSA-N 0 3 386.289 5.050 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000030754445 207373875 /nfs/dbraw/zinc/37/38/75/207373875.db2.gz JAYGMOYGEVDBII-UHFFFAOYSA-N 0 3 376.422 5.190 40 0 GKABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)cc1C ZINC000044856719 207642945 /nfs/dbraw/zinc/64/29/45/207642945.db2.gz MCBWVNLZHJZTNE-DEOSSOPVSA-N 0 3 378.560 5.416 40 0 GKABHN Cc1ccsc1-c1nnc(C2CCN(Cc3ccc4ccccc4n3)CC2)o1 ZINC000072389935 208012754 /nfs/dbraw/zinc/01/27/54/208012754.db2.gz ZMWVYCWXGBWMER-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN O=C(Nc1ccccc1)N1CCC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096214623 208286391 /nfs/dbraw/zinc/28/63/91/208286391.db2.gz NGUHJQYADNCEEH-QFIPXVFZSA-N 0 3 383.923 5.003 40 0 GKABHN CCCCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000007260993 220990900 /nfs/dbraw/zinc/99/09/00/220990900.db2.gz AQBUBJZEPAPBPW-UHFFFAOYSA-N 0 3 394.328 5.837 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008535303 221043323 /nfs/dbraw/zinc/04/33/23/221043323.db2.gz HKJADPZSPNBQAD-MRXNPFEDSA-N 0 3 399.893 5.918 40 0 GKABHN Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000016401623 221362449 /nfs/dbraw/zinc/36/24/49/221362449.db2.gz PSQLAWWNFMXAEB-UHFFFAOYSA-N 0 3 390.285 6.001 40 0 GKABHN Clc1ccc(OCc2ccccc2)c(CNCCc2c[nH]c3ccccc23)c1 ZINC000016480541 221363405 /nfs/dbraw/zinc/36/34/05/221363405.db2.gz APZZWGKISRCMJO-UHFFFAOYSA-N 0 3 390.914 5.733 40 0 GKABHN Fc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000016525981 221364915 /nfs/dbraw/zinc/36/49/15/221364915.db2.gz ZXBCDSYUNHJDMW-UHFFFAOYSA-N 0 3 389.445 5.987 40 0 GKABHN Clc1ccc(COc2ccc3ccccc3c2CNCc2cccs2)cc1 ZINC000016526005 221365009 /nfs/dbraw/zinc/36/50/09/221365009.db2.gz JFETUQLPOJBSGW-UHFFFAOYSA-N 0 3 393.939 6.424 40 0 GKABHN Clc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348831 222234320 /nfs/dbraw/zinc/23/43/20/222234320.db2.gz OVLZWAZWZNBFIE-FQEVSTJZSA-N 0 3 377.919 5.100 40 0 GKABHN Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375353 222242749 /nfs/dbraw/zinc/24/27/49/222242749.db2.gz GQIFVGDUWZNBKE-QHCPKHFHSA-N 0 3 395.510 5.414 40 0 GKABHN O=C1CC2=CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@@H]2S1 ZINC000095708205 222359634 /nfs/dbraw/zinc/35/96/34/222359634.db2.gz XIFAJGMIPXJJEJ-DEOSSOPVSA-N 0 3 397.543 5.600 40 0 GKABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408608975 534747176 /nfs/dbraw/zinc/74/71/76/534747176.db2.gz NHRXLNVMXYBAAI-DEOSSOPVSA-N 0 3 396.534 5.017 40 0 GKABHN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccc2)C1 ZINC000008636067 560210539 /nfs/dbraw/zinc/21/05/39/560210539.db2.gz QQSLZBHBAAODFJ-DNQXCXABSA-N 0 3 385.555 5.814 40 0 biogenic,in-vitro GKABHN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(Cl)c2)C1 ZINC000012603350 560213289 /nfs/dbraw/zinc/21/32/89/560213289.db2.gz LVIOUUDQPULVTK-WIYYLYMNSA-N 0 3 395.909 5.484 40 0 biogenic,in-vitro GKABHN Cn1cnc2c1cc(C1CCN(Cc3cccs3)CC1)nc2-c1ccccc1 ZINC000096099923 570210330 /nfs/dbraw/zinc/21/03/30/570210330.db2.gz NYGFPLOYSUFDRB-UHFFFAOYSA-N 0 3 388.540 5.076 40 0 GKABHN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 ZINC000005151794 570243035 /nfs/dbraw/zinc/24/30/35/570243035.db2.gz BYWHFODVRVSDOY-PMVMPFDFSA-N 0 3 385.935 5.217 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 ZINC000020458164 570259995 /nfs/dbraw/zinc/25/99/95/570259995.db2.gz ONODHBRMZQXUMT-UHFFFAOYSA-N 0 3 377.315 5.478 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000020494940 570263920 /nfs/dbraw/zinc/26/39/20/570263920.db2.gz LPFXLMJUODRXGG-FQEVSTJZSA-N 0 3 384.523 5.044 40 0 GKABHN CC(C)Sc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000105109783 570304280 /nfs/dbraw/zinc/30/42/80/570304280.db2.gz FJYLSHKGFSEMRW-UHFFFAOYSA-N 0 3 382.573 5.103 40 0 GKABHN COc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000022076839 570305370 /nfs/dbraw/zinc/30/53/70/570305370.db2.gz NLQFVSFEOHTTCJ-UHFFFAOYSA-N 0 3 376.283 5.594 40 0 GKABHN COc1ccc(CCNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1OC ZINC000022107462 570306097 /nfs/dbraw/zinc/30/60/97/570306097.db2.gz BOMSZDOGXRPBDK-UHFFFAOYSA-N 0 3 389.854 5.089 40 0 GKABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214881 570314907 /nfs/dbraw/zinc/31/49/07/570314907.db2.gz NKOMTUGBRZDLPM-IBGZPJMESA-N 0 3 375.557 5.415 40 0 GKABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214644 570314993 /nfs/dbraw/zinc/31/49/93/570314993.db2.gz DEVNVXJSJKUVFS-NRFANRHFSA-N 0 3 395.547 5.570 40 0 GKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215149 570315281 /nfs/dbraw/zinc/31/52/81/570315281.db2.gz XHNAJCRHCOEWQH-PKOBYXMFSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C ZINC000072215041 570315362 /nfs/dbraw/zinc/31/53/62/570315362.db2.gz RUNNERZIWNVLAN-IBGZPJMESA-N 0 3 375.557 5.416 40 0 GKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214943 570315481 /nfs/dbraw/zinc/31/54/81/570315481.db2.gz JYQLYNQTGXZVRB-IBGZPJMESA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CCC)cn1 ZINC000072214996 570315499 /nfs/dbraw/zinc/31/54/99/570315499.db2.gz YDPCEZGLYMBEIH-IBGZPJMESA-N 0 3 375.557 5.560 40 0 GKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215580 570315759 /nfs/dbraw/zinc/31/57/59/570315759.db2.gz UORLYTLUZJUJOS-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215467 570315861 /nfs/dbraw/zinc/31/58/61/570315861.db2.gz LAIPOPSNDCCQTE-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215527 570315875 /nfs/dbraw/zinc/31/58/75/570315875.db2.gz JPFZUPSGKWYRFV-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215804 570316466 /nfs/dbraw/zinc/31/64/66/570316466.db2.gz HZIYZJAHEOFAPC-FQEVSTJZSA-N 0 3 381.520 5.702 40 0 GKABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215744 570316706 /nfs/dbraw/zinc/31/67/06/570316706.db2.gz BDPAOGILRIQFMA-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN C[C@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076520 570320799 /nfs/dbraw/zinc/32/07/99/570320799.db2.gz MHMDAILTNWMDLK-RBZFPXEDSA-N 0 3 376.283 5.465 40 0 GKABHN C[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076567 570321004 /nfs/dbraw/zinc/32/10/04/570321004.db2.gz RXJHWJVVFQJHSU-RBZFPXEDSA-N 0 3 376.283 5.465 40 0 GKABHN CC(C)[C@@H]1C[C@H](c2ccccc2F)CO[C@H]1c1ccc(OCCN(C)C)cc1 ZINC000585291014 570321633 /nfs/dbraw/zinc/32/16/33/570321633.db2.gz ZFIFVULMNHLKPH-APTRMMRNSA-N 0 3 385.523 5.284 40 0 GKABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935602 570322621 /nfs/dbraw/zinc/32/26/21/570322621.db2.gz NFACPVZLNYPVAJ-UNMCSNQZSA-N 0 3 384.951 5.128 40 0 GKABHN COc1cccc(CNCc2cc3sccc3n2Cc2ccc(F)cc2)c1 ZINC000057719538 570371365 /nfs/dbraw/zinc/37/13/65/570371365.db2.gz HOTQKIAVKAGPBA-UHFFFAOYSA-N 0 3 380.488 5.189 40 0 GKABHN Fc1ccc(CN2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1F ZINC000057773949 570373732 /nfs/dbraw/zinc/37/37/32/570373732.db2.gz ZPERQDUTUFAGRH-JKSUJKDBSA-N 0 3 389.396 5.009 40 0 GKABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000057774466 570373783 /nfs/dbraw/zinc/37/37/83/570373783.db2.gz HLXLYAKKZZYYOS-AWEZNQCLSA-N 0 3 393.384 5.069 40 0 GKABHN CN(Cc1ccccc1)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537500 570382688 /nfs/dbraw/zinc/38/26/88/570382688.db2.gz IQLZCASNMJLIBW-WEHRJKGCSA-N 0 3 377.915 5.676 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802808 570406326 /nfs/dbraw/zinc/40/63/26/570406326.db2.gz BEWVWNGYSGPFME-PAWHMVCQSA-N 0 3 391.942 5.726 40 0 GKABHN C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802806 570406329 /nfs/dbraw/zinc/40/63/29/570406329.db2.gz BEWVWNGYSGPFME-XELASAAXSA-N 0 3 391.942 5.726 40 0 GKABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963351 570433392 /nfs/dbraw/zinc/43/33/92/570433392.db2.gz ONEQJTNLGGYIES-FQEVSTJZSA-N 0 3 390.571 5.288 40 0 GKABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223068951 570441230 /nfs/dbraw/zinc/44/12/30/570441230.db2.gz AOSAUWUSYNLGBG-VWLOTQADSA-N 0 3 390.571 5.432 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000039766010 570446051 /nfs/dbraw/zinc/44/60/51/570446051.db2.gz QOUXHDVZFSHOFW-HXUWFJFHSA-N 0 3 392.587 5.382 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000039767440 570446059 /nfs/dbraw/zinc/44/60/59/570446059.db2.gz UDOWIMYISJWSDL-UHFFFAOYSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028221049 570452860 /nfs/dbraw/zinc/45/28/60/570452860.db2.gz SLYVGIMHKHSJII-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000035311820 570467195 /nfs/dbraw/zinc/46/71/95/570467195.db2.gz WGRQTJGEOFNLDQ-YQQQUEKLSA-N 0 3 399.991 5.212 40 0 GKABHN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1CN1CCCCC1 ZINC000006208048 570471903 /nfs/dbraw/zinc/47/19/03/570471903.db2.gz XHGWNYKNHYKTLO-HHHXNRCGSA-N 0 3 395.546 6.417 40 0 GKABHN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1CN1CCCCC1 ZINC000006223392 570472536 /nfs/dbraw/zinc/47/25/36/570472536.db2.gz XHGWNYKNHYKTLO-MHZLTWQESA-N 0 3 395.546 6.417 40 0 GKABHN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000030941337 570501418 /nfs/dbraw/zinc/50/14/18/570501418.db2.gz KHFIPQGJYKPQEJ-OAQYLSRUSA-N 0 3 386.495 5.330 40 0 GKABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030938674 570501522 /nfs/dbraw/zinc/50/15/22/570501522.db2.gz IRSWWURYGSNYJB-CQSZACIVSA-N 0 3 397.733 5.498 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000030944264 570501792 /nfs/dbraw/zinc/50/17/92/570501792.db2.gz MHMQRUBKSSKFCK-UHFFFAOYSA-N 0 3 398.550 5.438 40 0 GKABHN CCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000007261345 570502041 /nfs/dbraw/zinc/50/20/41/570502041.db2.gz RSRDFWUAGOKCOT-UHFFFAOYSA-N 0 3 382.331 5.861 40 0 GKABHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031819624 570506615 /nfs/dbraw/zinc/50/66/15/570506615.db2.gz HYBVVHAETRLEFE-QFIPXVFZSA-N 0 3 398.333 6.092 40 0 GKABHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031819619 570506715 /nfs/dbraw/zinc/50/67/15/570506715.db2.gz HYBVVHAETRLEFE-JOCHJYFZSA-N 0 3 398.333 6.092 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 ZINC000007537952 570507531 /nfs/dbraw/zinc/50/75/31/570507531.db2.gz BLPSHKGVKSRQFI-UHFFFAOYSA-N 0 3 381.903 5.526 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)CC1 ZINC000224332420 570509431 /nfs/dbraw/zinc/50/94/31/570509431.db2.gz YYQWGONCTLYZGN-UHFFFAOYSA-N 0 3 384.523 5.423 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)CC1 ZINC000224331691 570509474 /nfs/dbraw/zinc/50/94/74/570509474.db2.gz QHYZEDSTNKJDLJ-UHFFFAOYSA-N 0 3 398.506 6.070 40 0 GKABHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008254551 570525999 /nfs/dbraw/zinc/52/59/99/570525999.db2.gz HPLXDJMIZJMTNK-GOSISDBHSA-N 0 3 395.930 6.169 40 0 GKABHN O=C(NCc1ccccc1CN1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000224805657 570531817 /nfs/dbraw/zinc/53/18/17/570531817.db2.gz TVEXJXJUJGWZTE-UHFFFAOYSA-N 0 3 398.550 5.121 40 0 GKABHN COc1cccc(CNCCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000008495308 570532755 /nfs/dbraw/zinc/53/27/55/570532755.db2.gz NWDZSPOQUOUHCW-UHFFFAOYSA-N 0 3 381.903 5.260 40 0 GKABHN CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224825008 570532778 /nfs/dbraw/zinc/53/27/78/570532778.db2.gz KWOPVLOEKWGNED-UHFFFAOYSA-N 0 3 392.587 5.219 40 0 GKABHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCCC2)cc1 ZINC000010331088 570569455 /nfs/dbraw/zinc/56/94/55/570569455.db2.gz VEGULNJHDKHGAW-UHFFFAOYSA-N 0 3 382.813 5.207 40 0 GKABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834697 570585908 /nfs/dbraw/zinc/58/59/08/570585908.db2.gz HDANTTLTAAACLK-OAHLLOKOSA-N 0 3 396.840 5.210 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000038834732 570586351 /nfs/dbraw/zinc/58/63/51/570586351.db2.gz BGOSFSGBCWXUQP-UHFFFAOYSA-N 0 3 376.422 5.190 40 0 GKABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038835005 570586717 /nfs/dbraw/zinc/58/67/17/570586717.db2.gz VSGALDBOFXHUQC-CQSZACIVSA-N 0 3 397.733 5.498 40 0 GKABHN Cc1ccc(CN(CCCn2ccnc2)Cc2c(C)oc3ccccc32)s1 ZINC000043277881 570626754 /nfs/dbraw/zinc/62/67/54/570626754.db2.gz MJPLMNKBZGMHQB-UHFFFAOYSA-N 0 3 379.529 5.400 40 0 GKABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000225905163 570632349 /nfs/dbraw/zinc/63/23/49/570632349.db2.gz MVGKUDLSESRUQK-MAUKXSAKSA-N 0 3 391.342 5.083 40 0 GKABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044855420 570636661 /nfs/dbraw/zinc/63/66/61/570636661.db2.gz BRXZMQJERZATQN-JOCHJYFZSA-N 0 3 392.543 5.013 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000044856302 570636759 /nfs/dbraw/zinc/63/67/59/570636759.db2.gz HXMIHKHDUSTAHV-GHTZIAJQSA-N 0 3 384.951 5.046 40 0 GKABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)c(C)c1 ZINC000044856457 570636987 /nfs/dbraw/zinc/63/69/87/570636987.db2.gz ZVAVFSYVANKQGA-GGAORHGYSA-N 0 3 398.978 5.436 40 0 GKABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)c(C)c1 ZINC000044856562 570637028 /nfs/dbraw/zinc/63/70/28/570637028.db2.gz DGLAWLVAUOGLJW-XMMPIXPASA-N 0 3 378.560 5.416 40 0 GKABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)c(C)c1 ZINC000044856458 570637063 /nfs/dbraw/zinc/63/70/63/570637063.db2.gz ZVAVFSYVANKQGA-FYYLOGMGSA-N 0 3 398.978 5.436 40 0 GKABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccc(F)cc2)C3)cc1 ZINC000004887997 570642928 /nfs/dbraw/zinc/64/29/28/570642928.db2.gz OEGQLZDZMFSETA-FRIKZZABSA-N 0 3 397.563 5.006 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000044917178 570643356 /nfs/dbraw/zinc/64/33/56/570643356.db2.gz PBBHBMHYLVHJDE-UHFFFAOYSA-N 0 3 392.543 5.167 40 0 GKABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935596 570644253 /nfs/dbraw/zinc/64/42/53/570644253.db2.gz NFACPVZLNYPVAJ-IRLDBZIGSA-N 0 3 384.951 5.128 40 0 GKABHN CC(C)C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000044936985 570644264 /nfs/dbraw/zinc/64/42/64/570644264.db2.gz MAFMPYRNIXNOQL-XMMPIXPASA-N 0 3 378.560 5.436 40 0 GKABHN COc1ccccc1OCCn1cc(/C=C/C2=CCN(C)CC2)c2ccccc21 ZINC000004933143 570649718 /nfs/dbraw/zinc/64/97/18/570649718.db2.gz CPAUPXZHTCSHQI-VAWYXSNFSA-N 0 3 388.511 5.004 40 0 GKABHN CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101646864 570716508 /nfs/dbraw/zinc/71/65/08/570716508.db2.gz QTRIGFJYNKGEIO-QEGGNFSNSA-N 0 3 389.514 5.761 40 0 GKABHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1cccs1 ZINC000008470623 570770477 /nfs/dbraw/zinc/77/04/77/570770477.db2.gz FDFJTHVZYBRWIL-UHFFFAOYSA-N 0 3 379.934 5.340 40 0 GKABHN Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000016449535 570925038 /nfs/dbraw/zinc/92/50/38/570925038.db2.gz HJVMUEJMARKKOP-UHFFFAOYSA-N 0 3 387.857 5.530 40 0 GKABHN Cc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019213913 570961349 /nfs/dbraw/zinc/96/13/49/570961349.db2.gz MJIQHQAODYIVSX-LOSJGSFVSA-N 0 3 390.502 5.022 40 0 GKABHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N(C)C)c(C)c1 ZINC000090501524 570997115 /nfs/dbraw/zinc/99/71/15/570997115.db2.gz TYGUQXPQLFFAMR-RPBOFIJWSA-N 0 3 387.523 5.813 40 0 GKABHN CCCCCC[C@@]1(O)C[C@@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898585 571004796 /nfs/dbraw/zinc/00/47/96/571004796.db2.gz XTXJCNLNKMWVKO-CPPMQADQSA-N 0 3 379.588 6.417 40 0 GKABHN Cc1cc(C)n(-c2cccc(CN(CCc3ccccc3)Cc3ccncc3)c2)n1 ZINC000019574789 210267564 /nfs/dbraw/zinc/26/75/64/210267564.db2.gz BMVVQNHOHDSRAT-UHFFFAOYSA-N 0 3 396.538 5.129 40 0 GKABHN Clc1ccc(COc2ccccc2CNCCc2ccccc2)c(Cl)c1 ZINC000016479399 210191747 /nfs/dbraw/zinc/19/17/47/210191747.db2.gz FPHPDBBYYGRWHD-UHFFFAOYSA-N 0 3 386.322 5.905 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)c1 ZINC000224529078 222657076 /nfs/dbraw/zinc/65/70/76/222657076.db2.gz DYTVIVWJJMHURY-UHFFFAOYSA-N 0 3 398.506 5.745 40 0 GKABHN O[C@H](c1ccccc1)[C@H](N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004777723 204076078 /nfs/dbraw/zinc/07/60/78/204076078.db2.gz ZGULMLKTCWGICW-JCYYIGJDSA-N 0 3 393.530 6.035 40 0 GKABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1C ZINC000004857220 204083427 /nfs/dbraw/zinc/08/34/27/204083427.db2.gz AWEAYUXTOXOPFE-NOTZXAQLSA-N 0 3 393.600 5.176 40 0 GKABHN CN1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000004867209 204084006 /nfs/dbraw/zinc/08/40/06/204084006.db2.gz JABONFOKZVPFLG-LOSJGSFVSA-N 0 3 379.503 5.572 40 0 GKABHN CN(C)CCO[C@](c1cccs1)(c1ccccc1)c1ccc2ccccc2n1 ZINC000004522337 204050897 /nfs/dbraw/zinc/05/08/97/204050897.db2.gz ONZPQLSPPCXUQE-XMMPIXPASA-N 0 3 388.536 5.166 40 0 GKABHN COc1ccc([C@H]([C@@H](C(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 ZINC000005513945 204136857 /nfs/dbraw/zinc/13/68/57/204136857.db2.gz QTGOYTKXAXTLMO-IZZNHLLZSA-N 0 3 399.534 5.889 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 ZINC000007538137 204242091 /nfs/dbraw/zinc/24/20/91/204242091.db2.gz YRPRZBAFCFDMBA-UHFFFAOYSA-N 0 3 381.903 5.526 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000007537972 204242404 /nfs/dbraw/zinc/24/24/04/204242404.db2.gz SVOVBNAVXPAUTN-UHFFFAOYSA-N 0 3 399.893 5.665 40 0 GKABHN COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000007538305 204242741 /nfs/dbraw/zinc/24/27/41/204242741.db2.gz NEXKKOFKSDQDHL-UHFFFAOYSA-N 0 3 397.902 5.226 40 0 GKABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000008254088 204267628 /nfs/dbraw/zinc/26/76/28/204267628.db2.gz VURUSXLFRRMPAZ-GOSISDBHSA-N 0 3 395.930 6.169 40 0 GKABHN CC[C@H](C)NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008326697 204271609 /nfs/dbraw/zinc/27/16/09/204271609.db2.gz KECBXWYQKDIMDG-ZDUSSCGKSA-N 0 3 382.729 5.570 40 0 GKABHN COc1cc(CNCc2cccs2)ccc1OCc1c(F)cccc1Cl ZINC000008471368 204276709 /nfs/dbraw/zinc/27/67/09/204276709.db2.gz HQGNKBCVTZWKCO-UHFFFAOYSA-N 0 3 391.895 5.418 40 0 GKABHN O=C1[C@H]2[C@H](C[C@H](c3ccccc3)N2Cc2ccccc2)CCN1c1ccccc1 ZINC000257247269 212010124 /nfs/dbraw/zinc/01/01/24/212010124.db2.gz IYFMWLYPQQXSAC-ICDZXHCJSA-N 0 3 382.507 5.055 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 ZINC000038849821 205039755 /nfs/dbraw/zinc/03/97/55/205039755.db2.gz URUCTDOBYARDPJ-UHFFFAOYSA-N 0 3 376.422 5.190 40 0 GKABHN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038859847 205041390 /nfs/dbraw/zinc/04/13/90/205041390.db2.gz GYILZHBUMBPJKP-LJQANCHMSA-N 0 3 384.951 5.623 40 0 GKABHN Clc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348959 205331288 /nfs/dbraw/zinc/33/12/88/205331288.db2.gz NIYHIITXCCPOLW-IBGZPJMESA-N 0 3 377.919 5.100 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223469920 206001880 /nfs/dbraw/zinc/00/18/80/206001880.db2.gz YDXMCJGJZFRZPR-OAQYLSRUSA-N 0 3 378.560 5.010 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)cc1 ZINC000224531963 206022687 /nfs/dbraw/zinc/02/26/87/206022687.db2.gz MWPPKRNDEHBUGO-UHFFFAOYSA-N 0 3 384.523 5.098 40 0 GKABHN CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000225621813 206062231 /nfs/dbraw/zinc/06/22/31/206062231.db2.gz SKQLQCMAIXROLD-FQEVSTJZSA-N 0 3 398.550 5.298 40 0 GKABHN Cc1noc(C)c1-c1cc(C2CCN(Cc3ccc4ccccc4n3)CC2)ccn1 ZINC000257307061 206177335 /nfs/dbraw/zinc/17/73/35/206177335.db2.gz SXBMUEGKZQBIPR-UHFFFAOYSA-N 0 3 398.510 5.281 40 0 GKABHN CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866076 206259936 /nfs/dbraw/zinc/25/99/36/206259936.db2.gz HKJVXAYMDUGIOW-SVVSVUQJSA-N 0 3 387.523 5.385 40 0 GKABHN O=C(Nc1ccccc1)N1CCC[C@]2(CCCN2Cc2ccc(Cl)cc2)C1 ZINC000096214630 211319471 /nfs/dbraw/zinc/31/94/71/211319471.db2.gz AIHATYLWQGRURD-QFIPXVFZSA-N 0 3 383.923 5.003 40 0 GKABHN Clc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348867 211095760 /nfs/dbraw/zinc/09/57/60/211095760.db2.gz LQJHQGUMXHBHEJ-HXUWFJFHSA-N 0 3 377.919 5.100 40 0 GKABHN Clc1ccccc1Cc1cccc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072348955 211094871 /nfs/dbraw/zinc/09/48/71/211094871.db2.gz IZAROUFEYMEEFW-UHFFFAOYSA-N 0 3 377.919 5.100 40 0 GKABHN COc1ccc(CCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000022076560 207246832 /nfs/dbraw/zinc/24/68/32/207246832.db2.gz DWUMGNLNRSHATB-UHFFFAOYSA-N 0 3 376.283 5.594 40 0 GKABHN CCOc1cccc(CNCCc2ccccc2F)c1OCc1ccccc1 ZINC000022076882 207247194 /nfs/dbraw/zinc/24/71/94/207247194.db2.gz RLQGRRZAMAPYGQ-UHFFFAOYSA-N 0 3 379.475 5.136 40 0 GKABHN COc1cccc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372502 208004985 /nfs/dbraw/zinc/00/49/85/208004985.db2.gz PYTRENZGWMOUQV-NRFANRHFSA-N 0 3 394.544 5.244 40 0 GKABHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N(C)C)c(C)c1 ZINC000090501526 208114041 /nfs/dbraw/zinc/11/40/41/208114041.db2.gz TYGUQXPQLFFAMR-JWQCQUIFSA-N 0 3 387.523 5.813 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000007525179 221001082 /nfs/dbraw/zinc/00/10/82/221001082.db2.gz UYDZRUBUBHRXHP-UHFFFAOYSA-N 0 3 381.903 5.526 40 0 GKABHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000008254083 221033439 /nfs/dbraw/zinc/03/34/39/221033439.db2.gz LETAAAWUTOMDJG-UHFFFAOYSA-N 0 3 381.903 5.608 40 0 GKABHN Brc1ccc(OCc2ccccc2)c(CNCCc2ccccc2)c1 ZINC000016479334 221363707 /nfs/dbraw/zinc/36/37/07/221363707.db2.gz KUOUKZQKDZIULR-UHFFFAOYSA-N 0 3 396.328 5.360 40 0 GKABHN Clc1ccc(COc2ccc(Cl)cc2CNCCc2ccccc2)cc1 ZINC000016479320 221363861 /nfs/dbraw/zinc/36/38/61/221363861.db2.gz CQSLYZOUWVFYKV-UHFFFAOYSA-N 0 3 386.322 5.905 40 0 GKABHN Clc1ccc(COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)cc1 ZINC000016525871 221365003 /nfs/dbraw/zinc/36/50/03/221365003.db2.gz UAXVYMZNVUZTTI-FQEVSTJZSA-N 0 3 381.903 5.341 40 0 GKABHN Clc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072348826 222234310 /nfs/dbraw/zinc/23/43/10/222234310.db2.gz XAGGTRBXNMBUHU-UHFFFAOYSA-N 0 3 377.919 5.100 40 0 GKABHN c1csc(Nc2cccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375356 222242419 /nfs/dbraw/zinc/24/24/19/222242419.db2.gz RKFRKBCYFYNFJS-HXUWFJFHSA-N 0 3 387.512 5.167 40 0 GKABHN Cn1cnc2c1cc(C1CCN(Cc3ccsc3)CC1)nc2-c1ccccc1 ZINC000096099925 222379507 /nfs/dbraw/zinc/37/95/07/222379507.db2.gz MTBQWCIHPJUMAQ-UHFFFAOYSA-N 0 3 388.540 5.076 40 0 GKABHN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C/C=C/c1ccccc1 ZINC000020529081 560093433 /nfs/dbraw/zinc/09/34/33/560093433.db2.gz YHYQZSVKBBWONV-UFEKTTADSA-N 0 3 391.555 5.467 40 0 biogenic,in-vitro GKABHN c1cc2c(s1)CCN(C(c1ccccc1)(c1ccccc1)c1ccccc1)C2 ZINC000022066870 570304228 /nfs/dbraw/zinc/30/42/28/570304228.db2.gz FZKZMCVLPGUJJQ-UHFFFAOYSA-N 0 3 381.544 6.098 40 0 in-vitro GKABHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022074148 570304986 /nfs/dbraw/zinc/30/49/86/570304986.db2.gz SUZSXNZFFYAKPO-GOSISDBHSA-N 0 3 395.930 6.169 40 0 GKABHN Clc1ccccc1COc1ccc(Br)cc1CNC1CCCC1 ZINC000022074253 570305005 /nfs/dbraw/zinc/30/50/05/570305005.db2.gz HFFHFDVBZIOCGC-UHFFFAOYSA-N 0 3 394.740 5.714 40 0 GKABHN CC[C@@H](c1ccccc1)[C@@H](c1ccc(OCCN(C)C)cc1)c1cccc(O)c1 ZINC000584578242 570311880 /nfs/dbraw/zinc/31/18/80/570311880.db2.gz QAYFBVRNOWKIHB-UIOOFZCWSA-N 0 3 389.539 5.658 40 0 GKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214882 570314775 /nfs/dbraw/zinc/31/47/75/570314775.db2.gz DAIMBFUSOCQCIY-LJQANCHMSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214563 570314867 /nfs/dbraw/zinc/31/48/67/570314867.db2.gz DFOFCASHPFRNFI-LJQANCHMSA-N 0 3 375.557 5.416 40 0 GKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214668 570314896 /nfs/dbraw/zinc/31/48/96/570314896.db2.gz NRUSYKIHDAGRIU-OAQYLSRUSA-N 0 3 395.547 5.570 40 0 GKABHN CCCCN1CCCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214703 570315057 /nfs/dbraw/zinc/31/50/57/570315057.db2.gz ARELWYLBFCFEOS-IBGZPJMESA-N 0 3 375.557 5.560 40 0 GKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 ZINC000072214701 570315072 /nfs/dbraw/zinc/31/50/72/570315072.db2.gz OONSKRQXSXUCRW-LJQANCHMSA-N 0 3 375.557 5.416 40 0 GKABHN CCCN1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214577 570315122 /nfs/dbraw/zinc/31/51/22/570315122.db2.gz OAWNKUFBXOEPFZ-IBGZPJMESA-N 0 3 375.557 5.416 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CCCC ZINC000072215063 570315375 /nfs/dbraw/zinc/31/53/75/570315375.db2.gz WHIQEUJVMOROCE-FQEVSTJZSA-N 0 3 389.584 5.950 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CCCC ZINC000072215062 570315405 /nfs/dbraw/zinc/31/54/05/570315405.db2.gz WHIQEUJVMOROCE-HXUWFJFHSA-N 0 3 389.584 5.950 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072215153 570315457 /nfs/dbraw/zinc/31/54/57/570315457.db2.gz FYSDTSBIVHZWDT-IEBWSBKVSA-N 0 3 375.557 5.557 40 0 GKABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215464 570315779 /nfs/dbraw/zinc/31/57/79/570315779.db2.gz OXIBIYSZSDPVCR-HXUWFJFHSA-N 0 3 387.568 5.559 40 0 GKABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215524 570315815 /nfs/dbraw/zinc/31/58/15/570315815.db2.gz VZFJXPVPDITNJF-HXUWFJFHSA-N 0 3 387.568 5.559 40 0 GKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215160 570315855 /nfs/dbraw/zinc/31/58/55/570315855.db2.gz TYAIGBPBJVISGT-ICSRJNTNSA-N 0 3 389.584 5.949 40 0 GKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215466 570315917 /nfs/dbraw/zinc/31/59/17/570315917.db2.gz LAIPOPSNDCCQTE-HXUWFJFHSA-N 0 3 387.568 5.703 40 0 GKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215568 570315934 /nfs/dbraw/zinc/31/59/34/570315934.db2.gz AVUUJPOFFCNHIR-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215801 570316470 /nfs/dbraw/zinc/31/64/70/570316470.db2.gz RUDIRUFWUXTTEB-HXUWFJFHSA-N 0 3 381.520 5.700 40 0 GKABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215684 570316550 /nfs/dbraw/zinc/31/65/50/570316550.db2.gz UYCWZRUFZGHECH-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215699 570316580 /nfs/dbraw/zinc/31/65/80/570316580.db2.gz YYEQDVZUODFLEU-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215807 570316591 /nfs/dbraw/zinc/31/65/91/570316591.db2.gz BHJGWGZHZQHXHT-OAQYLSRUSA-N 0 3 395.547 6.092 40 0 GKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215820 570316686 /nfs/dbraw/zinc/31/66/86/570316686.db2.gz ADQPGMBIWIFYRJ-OAQYLSRUSA-N 0 3 395.547 6.092 40 0 GKABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215866 570317051 /nfs/dbraw/zinc/31/70/51/570317051.db2.gz HJSGVLMOQXKKGL-NRFANRHFSA-N 0 3 395.547 5.948 40 0 GKABHN C[C@@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076855 570320743 /nfs/dbraw/zinc/32/07/43/570320743.db2.gz GBCZHEWAVTUHPW-XCLFUZPHSA-N 0 3 376.283 5.465 40 0 GKABHN CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011393 570354104 /nfs/dbraw/zinc/35/41/04/570354104.db2.gz JEKQPZGODPLINH-JBXUNAHCSA-N 0 3 375.487 5.515 40 0 GKABHN CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011392 570354270 /nfs/dbraw/zinc/35/42/70/570354270.db2.gz JEKQPZGODPLINH-RCTAOEEJSA-N 0 3 375.487 5.515 40 0 GKABHN CC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004011391 570354282 /nfs/dbraw/zinc/35/42/82/570354282.db2.gz JEKQPZGODPLINH-QORCZRPOSA-N 0 3 375.487 5.515 40 0 GKABHN Fc1cccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1 ZINC000057774538 570373519 /nfs/dbraw/zinc/37/35/19/570373519.db2.gz MVBIBXNTEIXSDZ-UHFFFAOYSA-N 0 3 377.385 5.100 40 0 GKABHN Cc1ccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)s1 ZINC000057774460 570373711 /nfs/dbraw/zinc/37/37/11/570373711.db2.gz UVOGFUPMJYGFQX-ZDUSSCGKSA-N 0 3 395.450 5.300 40 0 GKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371117 570381132 /nfs/dbraw/zinc/38/11/32/570381132.db2.gz FZDRVOARGHCRRW-MJGOQNOKSA-N 0 3 375.557 5.559 40 0 GKABHN c1ccc(CN[C@H](c2ccccc2)[C@@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000023477084 570393713 /nfs/dbraw/zinc/39/37/13/570393713.db2.gz QEUWNGJNPLRKLR-HNRBIFIRSA-N 0 3 392.546 6.049 40 0 GKABHN O=C(NCc1cccc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222889847 570430150 /nfs/dbraw/zinc/43/01/50/570430150.db2.gz HTFWUPVOLRVGEM-NRFANRHFSA-N 0 3 392.930 5.022 40 0 GKABHN Cc1ccc(C[C@@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389731 570437202 /nfs/dbraw/zinc/43/72/02/570437202.db2.gz SNEWFNDFZYCYJL-ZGFBMJKBSA-N 0 3 378.560 5.005 40 0 GKABHN COc1ccc([C@@H]([C@H](C(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 ZINC000005513920 570443600 /nfs/dbraw/zinc/44/36/00/570443600.db2.gz QTGOYTKXAXTLMO-FTJBHMTQSA-N 0 3 399.534 5.889 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000039761794 570445682 /nfs/dbraw/zinc/44/56/82/570445682.db2.gz PRPYGQWQMRSQJX-UHFFFAOYSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000039753291 570447435 /nfs/dbraw/zinc/44/74/35/570447435.db2.gz PMGCQGLPYXFBJL-UHFFFAOYSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 ZINC000039758989 570449971 /nfs/dbraw/zinc/44/99/71/570449971.db2.gz IVPHPOOWNRSKNI-UHFFFAOYSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000035289770 570455565 /nfs/dbraw/zinc/45/55/65/570455565.db2.gz HWOOIKGSARUNLQ-FRIKZZABSA-N 0 3 397.563 5.006 40 0 GKABHN CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414919 570464870 /nfs/dbraw/zinc/46/48/70/570464870.db2.gz YGVFIEDMWIHAMY-HXUWFJFHSA-N 0 3 378.560 5.191 40 0 GKABHN CCCCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007261269 570502125 /nfs/dbraw/zinc/50/21/25/570502125.db2.gz VFHCNJFYUZXCRB-UHFFFAOYSA-N 0 3 396.756 5.961 40 0 GKABHN CCCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000007261264 570502232 /nfs/dbraw/zinc/50/22/32/570502232.db2.gz SZCSLSQTYINAPG-UHFFFAOYSA-N 0 3 380.301 5.447 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000007525182 570507217 /nfs/dbraw/zinc/50/72/17/570507217.db2.gz ZMVSRHYWTPOMEQ-UHFFFAOYSA-N 0 3 381.903 5.526 40 0 GKABHN Cc1ccc(CNCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000007538027 570507483 /nfs/dbraw/zinc/50/74/83/570507483.db2.gz GQJZACNUEPQTBR-UHFFFAOYSA-N 0 3 385.482 6.156 40 0 GKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000008474338 570532437 /nfs/dbraw/zinc/53/24/37/570532437.db2.gz WDPRBJSMOVRQIS-UHFFFAOYSA-N 0 3 399.893 5.399 40 0 GKABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cnn(C3CCCCC3)c2)s1 ZINC000036740426 570568660 /nfs/dbraw/zinc/56/86/60/570568660.db2.gz VTWNPNDLCUPFHI-UHFFFAOYSA-N 0 3 397.592 5.047 40 0 GKABHN Cc1ccc(CN(CCCn2ccnc2)Cc2[nH]c3ccc(F)cc3c2C)s1 ZINC000036740413 570568765 /nfs/dbraw/zinc/56/87/65/570568765.db2.gz SPGPMCZULMZLGM-UHFFFAOYSA-N 0 3 396.535 5.274 40 0 GKABHN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849783 570587499 /nfs/dbraw/zinc/58/74/99/570587499.db2.gz SWQZDQLFMBHTHW-OAHLLOKOSA-N 0 3 396.840 5.210 40 0 GKABHN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849609 570587595 /nfs/dbraw/zinc/58/75/95/570587595.db2.gz XGXWBMCQSDGVQY-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849610 570587628 /nfs/dbraw/zinc/58/76/28/570587628.db2.gz XGXWBMCQSDGVQY-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038860335 570589036 /nfs/dbraw/zinc/58/90/36/570589036.db2.gz PEDLFBZLVJIBRL-OAHLLOKOSA-N 0 3 396.840 5.210 40 0 GKABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccnc3ccc(Cl)cc23)o1 ZINC000043277776 570626793 /nfs/dbraw/zinc/62/67/93/570626793.db2.gz KONXYRVLGPVONH-UHFFFAOYSA-N 0 3 394.906 5.079 40 0 GKABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000225905146 570632067 /nfs/dbraw/zinc/63/20/67/570632067.db2.gz MVGKUDLSESRUQK-CRAIPNDOSA-N 0 3 391.342 5.083 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C ZINC000044856409 570636752 /nfs/dbraw/zinc/63/67/52/570636752.db2.gz DFQPVZVYTTUBIP-OAQYLSRUSA-N 0 3 398.550 5.353 40 0 GKABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)cc1C ZINC000044856616 570637212 /nfs/dbraw/zinc/63/72/12/570637212.db2.gz GDRCUYJHJXRGMW-NFBKMPQASA-N 0 3 398.978 5.436 40 0 GKABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1C ZINC000004857315 570638857 /nfs/dbraw/zinc/63/88/57/570638857.db2.gz XXCZSQOGSUIWES-IHWFROFDSA-N 0 3 399.629 5.237 40 0 GKABHN CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004888050 570642694 /nfs/dbraw/zinc/64/26/94/570642694.db2.gz CYEGBRJQSWAEJC-YQQQUEKLSA-N 0 3 383.561 5.018 40 0 GKABHN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000044915909 570642977 /nfs/dbraw/zinc/64/29/77/570642977.db2.gz NTSPIYAFLRDUPZ-UHFFFAOYSA-N 0 3 398.506 5.156 40 0 GKABHN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000044917289 570643319 /nfs/dbraw/zinc/64/33/19/570643319.db2.gz HREIVNQXPYRDOV-UHFFFAOYSA-N 0 3 378.516 5.246 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 ZINC000044917303 570643412 /nfs/dbraw/zinc/64/34/12/570643412.db2.gz PSFLVGSOMRBCAJ-UHFFFAOYSA-N 0 3 392.543 5.492 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc1 ZINC000044936833 570644341 /nfs/dbraw/zinc/64/43/41/570644341.db2.gz ZZRMAZOVYQOXEQ-DEOSSOPVSA-N 0 3 378.560 5.111 40 0 GKABHN CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637227 570716619 /nfs/dbraw/zinc/71/66/19/570716619.db2.gz JEKQPZGODPLINH-ZFFYZDHPSA-N 0 3 375.487 5.515 40 0 GKABHN CCCCCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000007260996 570757120 /nfs/dbraw/zinc/75/71/20/570757120.db2.gz LJCPUKWNJOLFCV-UHFFFAOYSA-N 0 3 376.338 5.698 40 0 GKABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(Cl)cc2)on1 ZINC000019120454 570956929 /nfs/dbraw/zinc/95/69/29/570956929.db2.gz RKRPJCVBIKAUPZ-NZQKXSOJSA-N 0 3 395.934 5.445 40 0 GKABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccnc5ccccc45)CC3)o2)s1 ZINC000019217868 570962415 /nfs/dbraw/zinc/96/24/15/570962415.db2.gz SWSFPLXVKPJEPG-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555385 570981215 /nfs/dbraw/zinc/98/12/15/570981215.db2.gz DWMBLMXBAOMOLC-GWMMUDDPSA-N 0 3 385.551 5.852 40 0 GKABHN C[C@H](C(=O)n1c2ccccc2c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000054670904 571013702 /nfs/dbraw/zinc/01/37/02/571013702.db2.gz UYCLTBPWRCSHSX-HXUWFJFHSA-N 0 3 396.534 5.778 40 0 GKABHN Clc1cccc(N2CCN(c3c4ccccc4nc4c3CCCCC4)CC2)c1 ZINC000001699187 209336277 /nfs/dbraw/zinc/33/62/77/209336277.db2.gz QORNMQQHXMBIAH-UHFFFAOYSA-N 0 3 391.946 5.484 40 0 GKABHN CCCC[C@@]1(O)C[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109025 204028047 /nfs/dbraw/zinc/02/80/47/204028047.db2.gz UJRIBUDZMNUBLS-OWYCYUENSA-N 0 3 383.532 5.037 40 0 GKABHN CC(C)[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176979 204030741 /nfs/dbraw/zinc/03/07/41/204030741.db2.gz KLOBRRLODJPCDR-YIPNQBBMSA-N 0 3 385.551 5.708 40 0 GKABHN CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000005932912 204157028 /nfs/dbraw/zinc/15/70/28/204157028.db2.gz VFFBJZCCXOYRNN-FTJBHMTQSA-N 0 3 389.539 5.057 40 0 GKABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 ZINC000007537934 204242483 /nfs/dbraw/zinc/24/24/83/204242483.db2.gz SPSDNISETDZOAH-UHFFFAOYSA-N 0 3 395.930 5.916 40 0 GKABHN CCOc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000008254547 204268103 /nfs/dbraw/zinc/26/81/03/204268103.db2.gz LZZQAGBCQFJKSU-UHFFFAOYSA-N 0 3 387.932 5.669 40 0 GKABHN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834055 205038224 /nfs/dbraw/zinc/03/82/24/205038224.db2.gz AJWTYQDIDUOGGM-LJQANCHMSA-N 0 3 378.903 5.344 40 0 GKABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)c(C)c1 ZINC000044856561 205087498 /nfs/dbraw/zinc/08/74/98/205087498.db2.gz DGLAWLVAUOGLJW-DEOSSOPVSA-N 0 3 378.560 5.416 40 0 GKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1 ZINC000044935896 205090716 /nfs/dbraw/zinc/09/07/16/205090716.db2.gz QGKRAFXTKBUXFF-AREMUKBSSA-N 0 3 398.550 5.434 40 0 GKABHN c1ccc(Nc2cccc([C@@H]3CCCN3Cc3cccc4ncccc34)n2)nc1 ZINC000072375733 205337429 /nfs/dbraw/zinc/33/74/29/205337429.db2.gz INJAGXWEBNCIAY-QFIPXVFZSA-N 0 3 381.483 5.106 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)c1 ZINC000223469783 206001695 /nfs/dbraw/zinc/00/16/95/206001695.db2.gz QDKQNWAFBSKDGP-OAQYLSRUSA-N 0 3 378.560 5.010 40 0 GKABHN O=C(CCc1cccc2ccccc21)NCc1ccccc1CN1CCCCC1 ZINC000224849258 206029252 /nfs/dbraw/zinc/02/92/52/206029252.db2.gz RRTDUGVYRWYUTG-UHFFFAOYSA-N 0 3 386.539 5.075 40 0 GKABHN CCN(CC)CCOc1ccc([C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000077287058 206210608 /nfs/dbraw/zinc/21/06/08/206210608.db2.gz QRDUUUZNVAYWOU-RUZDIDTESA-N 0 3 387.523 5.422 40 0 in-vitro GKABHN CC1CCN(Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)CC1 ZINC000216840898 206253674 /nfs/dbraw/zinc/25/36/74/206253674.db2.gz YEZKAZDSPPMVLV-UHFFFAOYSA-N 0 3 385.305 5.489 40 0 GKABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccc5ccccc5n4)CC3)o2)s1 ZINC000019217848 207108078 /nfs/dbraw/zinc/10/80/78/207108078.db2.gz BSOIRJPXNWOMLG-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN CCOc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000019532659 207131150 /nfs/dbraw/zinc/13/11/50/207131150.db2.gz GGTKCUJOSDLTRD-IERDGZPVSA-N 0 3 379.504 5.006 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000019933512 207171911 /nfs/dbraw/zinc/17/19/11/207171911.db2.gz VBOZOSBDOCIKLX-UHFFFAOYSA-N 0 3 390.571 5.013 40 0 GKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000020455732 207194986 /nfs/dbraw/zinc/19/49/86/207194986.db2.gz HSSNKOYKEQORSX-VWLOTQADSA-N 0 3 384.523 5.126 40 0 GKABHN CC(C)[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000101646855 208395219 /nfs/dbraw/zinc/39/52/19/208395219.db2.gz QTRIGFJYNKGEIO-ZJSPYRCASA-N 0 3 389.514 5.761 40 0 GKABHN CCn1c2ccccc2c2cc(CN3CCN(C[C@H]4C[C@@H]5C=C[C@H]4C5)CC3)ccc21 ZINC000019889661 210304012 /nfs/dbraw/zinc/30/40/12/210304012.db2.gz XXBYUKOZMOTUIR-AKIFATBCSA-N 0 3 399.582 5.144 40 0 GKABHN COc1ccc(CCNCc2ccc(-c3cccc(Cl)c3C)o2)cc1OC ZINC000007538979 221001127 /nfs/dbraw/zinc/00/11/27/221001127.db2.gz MJPKXMFZNVCQOP-UHFFFAOYSA-N 0 3 385.891 5.258 40 0 GKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471524 221041606 /nfs/dbraw/zinc/04/16/06/221041606.db2.gz QUOVSCWPBLSCDF-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000008535327 221043133 /nfs/dbraw/zinc/04/31/33/221043133.db2.gz BKRFRQHFWIFSAX-QGZVFWFLSA-N 0 3 381.903 5.778 40 0 GKABHN CCOC(=O)c1oc2ccc(Cl)cc2c1CNCCc1c[nH]c2ccccc12 ZINC000015017527 221326954 /nfs/dbraw/zinc/32/69/54/221326954.db2.gz MALTVNOLSRYYCS-UHFFFAOYSA-N 0 3 396.874 5.077 40 0 GKABHN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2)cc1 ZINC000016480082 221363314 /nfs/dbraw/zinc/36/33/14/221363314.db2.gz WWWKEGITOIUUJJ-UHFFFAOYSA-N 0 3 387.910 6.362 40 0 GKABHN Clc1ccccc1COc1ccc2ccccc2c1CNCc1cccs1 ZINC000016526011 221364904 /nfs/dbraw/zinc/36/49/04/221364904.db2.gz VDJMEILJHMVNHY-UHFFFAOYSA-N 0 3 393.939 6.424 40 0 GKABHN COc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257272708 209064897 /nfs/dbraw/zinc/06/48/97/209064897.db2.gz NDMMPSVORZWQOZ-HSZRJFAPSA-N 0 3 387.527 5.160 40 0 GKABHN C[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076561 533442132 /nfs/dbraw/zinc/44/21/32/533442132.db2.gz RXJHWJVVFQJHSU-ZUOKHONESA-N 0 3 376.283 5.465 40 0 GKABHN Clc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348827 222235433 /nfs/dbraw/zinc/23/54/33/222235433.db2.gz UFUMPASZULEAEZ-HXUWFJFHSA-N 0 3 377.919 5.100 40 0 GKABHN Clc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348957 222235544 /nfs/dbraw/zinc/23/55/44/222235544.db2.gz SUUBIGGYMZAJGU-IBGZPJMESA-N 0 3 377.919 5.100 40 0 GKABHN Cc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)s1 ZINC000096038174 222374525 /nfs/dbraw/zinc/37/45/25/222374525.db2.gz LIBPTNJMCAITQI-UHFFFAOYSA-N 0 3 388.540 5.146 40 0 GKABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408608978 534747219 /nfs/dbraw/zinc/74/72/19/534747219.db2.gz NHRXLNVMXYBAAI-XMMPIXPASA-N 0 3 396.534 5.017 40 0 GKABHN O=C(c1ccccc1-c1ccccc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408607299 534747262 /nfs/dbraw/zinc/74/72/62/534747262.db2.gz KRKCDMIYJCVXBS-UHFFFAOYSA-N 0 3 396.534 5.017 40 0 GKABHN CN(C)Cc1cc(C(F)(F)F)ccc1C(O)(c1ccccc1)c1ccccc1 ZINC000003954242 560191816 /nfs/dbraw/zinc/19/18/16/560191816.db2.gz ZIJYGZOMZWSARO-UHFFFAOYSA-N 0 3 385.429 5.051 40 0 in-vitro GKABHN O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020491199 570263110 /nfs/dbraw/zinc/26/31/10/570263110.db2.gz RTXHIEOWWNRSIN-SANMLTNESA-N 0 3 396.534 5.052 40 0 GKABHN CC(C)c1ccc(CCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000216396639 570300889 /nfs/dbraw/zinc/30/08/89/570300889.db2.gz VOQMLQQJFUCQMB-UHFFFAOYSA-N 0 3 378.560 5.014 40 0 GKABHN COc1ccc(CCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000022076513 570305331 /nfs/dbraw/zinc/30/53/31/570305331.db2.gz GBTCXEOXWZAWEF-UHFFFAOYSA-N 0 3 376.283 5.594 40 0 GKABHN CCCCN1CCCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214702 570314754 /nfs/dbraw/zinc/31/47/54/570314754.db2.gz ARELWYLBFCFEOS-LJQANCHMSA-N 0 3 375.557 5.560 40 0 GKABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214608 570314795 /nfs/dbraw/zinc/31/47/95/570314795.db2.gz ADZULHKLTJBYAS-HXUWFJFHSA-N 0 3 381.520 5.180 40 0 GKABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214847 570314918 /nfs/dbraw/zinc/31/49/18/570314918.db2.gz KTCFOJUQAIFQAA-NRFANRHFSA-N 0 3 395.547 5.569 40 0 GKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214883 570315128 /nfs/dbraw/zinc/31/51/28/570315128.db2.gz DAIMBFUSOCQCIY-IBGZPJMESA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CCCC)cn1 ZINC000072215002 570315411 /nfs/dbraw/zinc/31/54/11/570315411.db2.gz JOHJGGCBHUFYAA-HXUWFJFHSA-N 0 3 389.584 5.950 40 0 GKABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215581 570315705 /nfs/dbraw/zinc/31/57/05/570315705.db2.gz UORLYTLUZJUJOS-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CC1 ZINC000072215312 570315797 /nfs/dbraw/zinc/31/57/97/570315797.db2.gz MDBSQJGOYQAYJC-OAQYLSRUSA-N 0 3 393.531 5.323 40 0 GKABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215238 570315883 /nfs/dbraw/zinc/31/58/83/570315883.db2.gz HEFNSROWNHATNS-HKUYNNGSSA-N 0 3 375.557 5.559 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072215269 570315889 /nfs/dbraw/zinc/31/58/89/570315889.db2.gz USZZUPMZZKFOGZ-UYAOXDASSA-N 0 3 389.584 5.805 40 0 GKABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215822 570316478 /nfs/dbraw/zinc/31/64/78/570316478.db2.gz UTWUDCFQKIDDQE-OAQYLSRUSA-N 0 3 395.547 6.090 40 0 GKABHN CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215823 570316623 /nfs/dbraw/zinc/31/66/23/570316623.db2.gz UTWUDCFQKIDDQE-NRFANRHFSA-N 0 3 395.547 6.090 40 0 GKABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215864 570316915 /nfs/dbraw/zinc/31/69/15/570316915.db2.gz QCTSQUDMJQLSRC-FQEVSTJZSA-N 0 3 381.520 5.702 40 0 GKABHN Clc1ccc(-c2c[nH]nc2[C@H]2CCCN(CCOCc3ccccc3)C2)cc1 ZINC000585169577 570320045 /nfs/dbraw/zinc/32/00/45/570320045.db2.gz HLLSWNQLBVPWBK-FQEVSTJZSA-N 0 3 395.934 5.126 40 0 GKABHN C[C@@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H](O)c1ccccc1 ZINC000022076518 570320752 /nfs/dbraw/zinc/32/07/52/570320752.db2.gz MHMDAILTNWMDLK-XCLFUZPHSA-N 0 3 376.283 5.465 40 0 GKABHN C[C@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076517 570320758 /nfs/dbraw/zinc/32/07/58/570320758.db2.gz MHMDAILTNWMDLK-RNODOKPDSA-N 0 3 376.283 5.465 40 0 GKABHN CCN(CC)CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075037 570321244 /nfs/dbraw/zinc/32/12/44/570321244.db2.gz UVFXHANJMARLNQ-UHFFFAOYSA-N 0 3 381.347 5.004 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000044934755 570322521 /nfs/dbraw/zinc/32/25/21/570322521.db2.gz ALHFAOPHNIFHSO-QUCCMNQESA-N 0 3 384.951 5.046 40 0 GKABHN CCCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109024 570357679 /nfs/dbraw/zinc/35/76/79/570357679.db2.gz UJRIBUDZMNUBLS-NSXWQBIQSA-N 0 3 383.532 5.037 40 0 GKABHN Cc1ccc(C(=O)[C@H]([C@H](c2cccs2)N2CCCCC2)N2CCCCC2)cc1 ZINC000019372148 570406442 /nfs/dbraw/zinc/40/64/42/570406442.db2.gz YWCPBUMAUPBXFT-GOTSBHOMSA-N 0 3 396.600 5.321 40 0 GKABHN CN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C1c1ccccc1CC2 ZINC000004867211 570413972 /nfs/dbraw/zinc/41/39/72/570413972.db2.gz JABONFOKZVPFLG-JWQCQUIFSA-N 0 3 379.503 5.572 40 0 GKABHN O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004883225 570415460 /nfs/dbraw/zinc/41/54/60/570415460.db2.gz GLUFPNJPUCWBFC-MQVJKMGUSA-N 0 3 389.952 5.109 40 0 GKABHN CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866077 570421471 /nfs/dbraw/zinc/42/14/71/570421471.db2.gz HKJVXAYMDUGIOW-AAOIWRJWSA-N 0 3 387.523 5.385 40 0 GKABHN CCC(=O)OC1(c2ccccc2)CCN(C/C=C\c2cccc3ccccc23)CC1 ZINC000005046543 570425893 /nfs/dbraw/zinc/42/58/93/570425893.db2.gz FQWCYYRQVANHLG-LCYFTJDESA-N 0 3 399.534 5.798 40 0 GKABHN c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2NC2CCCCC2)cc1 ZINC000005105037 570429744 /nfs/dbraw/zinc/42/97/44/570429744.db2.gz PIWBBRRXNVVFGQ-SVBPBHIXSA-N 0 3 395.550 5.943 40 0 GKABHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222944220 570432304 /nfs/dbraw/zinc/43/23/04/570432304.db2.gz JNKDLPCQSJFYQV-LJQANCHMSA-N 0 3 376.544 5.042 40 0 GKABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222963287 570433521 /nfs/dbraw/zinc/43/35/21/570433521.db2.gz ONEQJTNLGGYIES-HXUWFJFHSA-N 0 3 390.571 5.288 40 0 GKABHN Cc1ccc(C[C@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389730 570437304 /nfs/dbraw/zinc/43/73/04/570437304.db2.gz SNEWFNDFZYCYJL-LIONHTAISA-N 0 3 378.560 5.005 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000039757386 570448777 /nfs/dbraw/zinc/44/87/77/570448777.db2.gz LWWAMEFWFWOXCC-UHFFFAOYSA-N 0 3 384.523 5.513 40 0 GKABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028221044 570452652 /nfs/dbraw/zinc/45/26/52/570452652.db2.gz SLYVGIMHKHSJII-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220694 570452796 /nfs/dbraw/zinc/45/27/96/570452796.db2.gz PPMNAZBZKZOOGX-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 ZINC000035289487 570454558 /nfs/dbraw/zinc/45/45/58/570454558.db2.gz AOLVMMRWONOORS-FRIKZZABSA-N 0 3 377.532 5.011 40 0 GKABHN CC[C@@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000005923263 570462107 /nfs/dbraw/zinc/46/21/07/570462107.db2.gz VFFBJZCCXOYRNN-UIOOFZCWSA-N 0 3 389.539 5.057 40 0 GKABHN CC(C)N(CCOc1ccccc1Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000005962890 570463511 /nfs/dbraw/zinc/46/35/11/570463511.db2.gz JYNROYWSNGVCPT-VWLOTQADSA-N 0 3 389.539 5.100 40 0 GKABHN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCCCC2)cc1 ZINC000224095962 570498376 /nfs/dbraw/zinc/49/83/76/570498376.db2.gz IDHYQQYTUCMTHG-UHFFFAOYSA-N 0 3 384.479 5.824 40 0 GKABHN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000030941340 570501320 /nfs/dbraw/zinc/50/13/20/570501320.db2.gz KHFIPQGJYKPQEJ-NRFANRHFSA-N 0 3 386.495 5.330 40 0 GKABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938662 570501393 /nfs/dbraw/zinc/50/13/93/570501393.db2.gz DGMJHJREIJGBQG-CQSZACIVSA-N 0 3 397.733 5.498 40 0 GKABHN Cc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000007538022 570507418 /nfs/dbraw/zinc/50/74/18/570507418.db2.gz IJPBGEOEBZXCPK-UHFFFAOYSA-N 0 3 385.482 6.156 40 0 GKABHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007537967 570507505 /nfs/dbraw/zinc/50/75/05/570507505.db2.gz FPZAMUZVBAVJSX-UHFFFAOYSA-N 0 3 399.893 5.665 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)cc1 ZINC000224531119 570516703 /nfs/dbraw/zinc/51/67/03/570516703.db2.gz OPDDRBOANPNBTC-UHFFFAOYSA-N 0 3 398.506 5.745 40 0 GKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000008254087 570526269 /nfs/dbraw/zinc/52/62/69/570526269.db2.gz VURUSXLFRRMPAZ-SFHVURJKSA-N 0 3 395.930 6.169 40 0 GKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000008472172 570532390 /nfs/dbraw/zinc/53/23/90/570532390.db2.gz MTNLAKOHFRNVHD-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN COc1cc(CNCc2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000008471760 570532421 /nfs/dbraw/zinc/53/24/21/570532421.db2.gz YKLHCATWPMSJRF-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN COc1cccc(CNCCc2ccccc2)c1OCc1ccccc1Cl ZINC000008495593 570532809 /nfs/dbraw/zinc/53/28/09/570532809.db2.gz CUPQVPIRZAXNCY-UHFFFAOYSA-N 0 3 381.903 5.260 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000008535320 570533247 /nfs/dbraw/zinc/53/32/47/570533247.db2.gz DCJLPZYXAAQPHT-MRXNPFEDSA-N 0 3 399.893 5.918 40 0 GKABHN COc1cc(C)c(C(=O)NCc2ccccc2CN2CCCCC2)cc1C(C)C ZINC000224854203 570534094 /nfs/dbraw/zinc/53/40/94/570534094.db2.gz RLNDDRUUUBHKLD-UHFFFAOYSA-N 0 3 394.559 5.043 40 0 GKABHN Cc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000035818665 570550401 /nfs/dbraw/zinc/55/04/01/570550401.db2.gz YZYSFBHGMVZEQL-UHFFFAOYSA-N 0 3 398.550 5.702 40 0 GKABHN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010331114 570569426 /nfs/dbraw/zinc/56/94/26/570569426.db2.gz SEQKBYFLCHVLEO-UHFFFAOYSA-N 0 3 397.733 5.885 40 0 GKABHN CN(Cc1ccccc1)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000038179450 570578754 /nfs/dbraw/zinc/57/87/54/570578754.db2.gz IQLZCASNMJLIBW-UROCCOEBSA-N 0 3 377.915 5.676 40 0 GKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534005 570584880 /nfs/dbraw/zinc/58/48/80/570584880.db2.gz AYZOARTUYMFBQA-UHFFFAOYSA-N 0 3 392.543 5.002 40 0 GKABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038835004 570586617 /nfs/dbraw/zinc/58/66/17/570586617.db2.gz VSGALDBOFXHUQC-AWEZNQCLSA-N 0 3 397.733 5.498 40 0 GKABHN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038849499 570587688 /nfs/dbraw/zinc/58/76/88/570587688.db2.gz VSTFJVAVHLSXFE-INIZCTEOSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849494 570587795 /nfs/dbraw/zinc/58/77/95/570587795.db2.gz SPNBKJVYRBDDQT-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN O=C(NCc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903943 570632147 /nfs/dbraw/zinc/63/21/47/570632147.db2.gz AJHVVNNCJMTXJI-OAQYLSRUSA-N 0 3 392.930 5.022 40 0 GKABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)cc1C ZINC000044856615 570637202 /nfs/dbraw/zinc/63/72/02/570637202.db2.gz GDRCUYJHJXRGMW-OFNKIYASSA-N 0 3 398.978 5.436 40 0 GKABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1C ZINC000044856664 570637227 /nfs/dbraw/zinc/63/72/27/570637227.db2.gz UMKLDBQZVYNRNK-XMMPIXPASA-N 0 3 378.560 5.091 40 0 GKABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856506 570637242 /nfs/dbraw/zinc/63/72/42/570637242.db2.gz YJPQLEGOJQLXCF-XMMPIXPASA-N 0 3 378.560 5.091 40 0 GKABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2cccc(C)c2)C3)cc1 ZINC000004857237 570638394 /nfs/dbraw/zinc/63/83/94/570638394.db2.gz VMYTVQUHBFQKHZ-NOTZXAQLSA-N 0 3 393.600 5.176 40 0 GKABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccc(C)cc2)C3)cc1 ZINC000004857242 570638411 /nfs/dbraw/zinc/63/84/11/570638411.db2.gz NNWDZGAUMIUURX-NOTZXAQLSA-N 0 3 393.600 5.176 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)c1 ZINC000044936825 570644238 /nfs/dbraw/zinc/64/42/38/570644238.db2.gz LPTIOCAPCNPMSX-DEOSSOPVSA-N 0 3 378.560 5.111 40 0 GKABHN O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CN(Cc1ccccn1)C1CCCC1 ZINC000012670697 570697423 /nfs/dbraw/zinc/69/74/23/570697423.db2.gz MQWQMPOGCSRPEW-UHFFFAOYSA-N 0 3 393.918 5.035 40 0 GKABHN CC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637222 570716448 /nfs/dbraw/zinc/71/64/48/570716448.db2.gz JEKQPZGODPLINH-OJJQZRKESA-N 0 3 375.487 5.515 40 0 GKABHN COc1c(Cl)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl ZINC000006627291 570747713 /nfs/dbraw/zinc/74/77/13/570747713.db2.gz QEQNXJLXONOZQR-UHFFFAOYSA-N 0 3 393.314 5.240 40 0 GKABHN CCOc1c(Cl)cc(Cl)cc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008253440 570765825 /nfs/dbraw/zinc/76/58/25/570765825.db2.gz AXQYWMUYNGJHAM-BUBBNXEVSA-N 0 3 382.375 6.087 40 0 GKABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000008535306 570769929 /nfs/dbraw/zinc/76/99/29/570769929.db2.gz NMOHMAGAQLEEDG-OAHLLOKOSA-N 0 3 387.932 5.840 40 0 GKABHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013668941 570770051 /nfs/dbraw/zinc/77/00/51/570770051.db2.gz CVGZYELWLCXMEL-IBGZPJMESA-N 0 3 378.560 5.461 40 0 GKABHN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010338753 570789303 /nfs/dbraw/zinc/78/93/03/570789303.db2.gz JBOXPROXDYQUFV-UHFFFAOYSA-N 0 3 384.523 5.192 40 0 GKABHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000044856303 570914565 /nfs/dbraw/zinc/91/45/65/570914565.db2.gz HXMIHKHDUSTAHV-NQIIRXRSSA-N 0 3 384.951 5.046 40 0 GKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000017077513 570916953 /nfs/dbraw/zinc/91/69/53/570916953.db2.gz RAUKGGVLEDOKAI-UHFFFAOYSA-N 0 3 378.903 5.731 40 0 GKABHN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(CN2CCCCC2)cc1 ZINC000017079445 570918058 /nfs/dbraw/zinc/91/80/58/570918058.db2.gz QEDALQVGWHWTBH-YRNVUSSQSA-N 0 3 389.326 5.631 40 0 GKABHN CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1 ZINC000001585847 570920979 /nfs/dbraw/zinc/92/09/79/570920979.db2.gz ZQZFYGIXNQKOAV-OCEACIFDSA-N 0 3 387.523 5.702 40 0 endogenous,world GKABHN c1ccc(CN[C@@H](c2ccccc2)[C@@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000019365878 570925309 /nfs/dbraw/zinc/92/53/09/570925309.db2.gz QEUWNGJNPLRKLR-NSOVKSMOSA-N 0 3 392.546 6.049 40 0 GKABHN Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241887 570945086 /nfs/dbraw/zinc/94/50/86/570945086.db2.gz NGGRUQTZYBNVKA-UHFFFAOYSA-N 0 3 398.550 5.702 40 0 GKABHN c1ccc(CN[C@H](c2ccccc2)[C@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000019365876 570980119 /nfs/dbraw/zinc/98/01/19/570980119.db2.gz QEUWNGJNPLRKLR-VSGBNLITSA-N 0 3 392.546 6.049 40 0 GKABHN CCCCCC[C@@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898581 571004664 /nfs/dbraw/zinc/00/46/64/571004664.db2.gz XTXJCNLNKMWVKO-XDWXJERXSA-N 0 3 379.588 6.417 40 0 GKABHN O=C1CC2=CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@H]2S1 ZINC000095708204 571094286 /nfs/dbraw/zinc/09/42/86/571094286.db2.gz XIFAJGMIPXJJEJ-XMMPIXPASA-N 0 3 397.543 5.600 40 0 GKABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccc5ncccc5c4)CC3)o2)s1 ZINC000019217843 210231910 /nfs/dbraw/zinc/23/19/10/210231910.db2.gz XAKNDFQALMHKIT-UHFFFAOYSA-N 0 3 390.512 5.034 40 0 GKABHN CN(C)Cc1ccc2ccccc2c1CC(O)(c1ccccc1)c1ccccc1 ZINC000001615638 212250836 /nfs/dbraw/zinc/25/08/36/212250836.db2.gz LINCGWMNCGJGAZ-UHFFFAOYSA-N 0 3 381.519 5.380 40 0 GKABHN COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000008474524 204278371 /nfs/dbraw/zinc/27/83/71/204278371.db2.gz KJMIFSOTXRLZQN-UHFFFAOYSA-N 0 3 381.903 5.260 40 0 GKABHN CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1C ZINC000044856663 205088169 /nfs/dbraw/zinc/08/81/69/205088169.db2.gz UMKLDBQZVYNRNK-DEOSSOPVSA-N 0 3 378.560 5.091 40 0 GKABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C)cc1 ZINC000044935599 205090566 /nfs/dbraw/zinc/09/05/66/205090566.db2.gz NFACPVZLNYPVAJ-IFMALSPDSA-N 0 3 384.951 5.128 40 0 GKABHN CCCCc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225230252 206041464 /nfs/dbraw/zinc/04/14/64/206041464.db2.gz PRFORWXSARESJT-UHFFFAOYSA-N 0 3 387.618 5.042 40 0 GKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555383 206529218 /nfs/dbraw/zinc/52/92/18/206529218.db2.gz DWMBLMXBAOMOLC-YIPNQBBMSA-N 0 3 385.551 5.852 40 0 GKABHN O=C(Nc1ccccc1)N1CCC[C@@]2(CCCN2Cc2ccccc2Cl)C1 ZINC000096071371 211299504 /nfs/dbraw/zinc/29/95/04/211299504.db2.gz WMLMAIFNLNJFBZ-JOCHJYFZSA-N 0 3 383.923 5.003 40 0 GKABHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N(C)C)c(C)c1 ZINC000090501530 211187717 /nfs/dbraw/zinc/18/77/17/211187717.db2.gz TYGUQXPQLFFAMR-LOSJGSFVSA-N 0 3 387.523 5.813 40 0 GKABHN COc1ccc(C2(NCc3cccc(-n4nc(C)cc4C)c3)CCCC2)cc1 ZINC000019116434 207102200 /nfs/dbraw/zinc/10/22/00/207102200.db2.gz LQTODCRMRIRRGQ-UHFFFAOYSA-N 0 3 375.516 5.057 40 0 GKABHN Cc1nccn1-c1ccc(CN(Cc2ccncc2)Cc2ccc(C)cc2)cc1 ZINC000019210142 207106695 /nfs/dbraw/zinc/10/66/95/207106695.db2.gz REMHZTXCIPIUDO-UHFFFAOYSA-N 0 3 382.511 5.087 40 0 GKABHN Fc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@H]2c2cc(C(F)F)n[nH]2)cc1 ZINC000019349444 207117519 /nfs/dbraw/zinc/11/75/19/207117519.db2.gz LZZGRHBDABGIIZ-DLBZAZTESA-N 0 3 389.396 5.009 40 0 GKABHN Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000020043323 207175786 /nfs/dbraw/zinc/17/57/86/207175786.db2.gz SFLAOTGWYFZTPP-AREMUKBSSA-N 0 3 398.550 5.500 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)CC1 ZINC000030868437 207377848 /nfs/dbraw/zinc/37/78/48/207377848.db2.gz CLSUHDHKKFCXEB-UHFFFAOYSA-N 0 3 377.315 5.478 40 0 GKABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072358108 208002199 /nfs/dbraw/zinc/00/21/99/208002199.db2.gz KIZFIDYXOQWWQU-SANMLTNESA-N 0 3 399.538 5.276 40 0 GKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000008474342 221042658 /nfs/dbraw/zinc/04/26/58/221042658.db2.gz FGFCCFAFUAABSZ-UHFFFAOYSA-N 0 3 381.903 5.260 40 0 GKABHN Clc1ccccc1COc1ccc2ccccc2c1CNCc1ccccc1 ZINC000016480093 221363694 /nfs/dbraw/zinc/36/36/94/221363694.db2.gz HXTUOAAMJCAYOH-UHFFFAOYSA-N 0 3 387.910 6.362 40 0 GKABHN Clc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348828 222234181 /nfs/dbraw/zinc/23/41/81/222234181.db2.gz UFUMPASZULEAEZ-FQEVSTJZSA-N 0 3 377.919 5.100 40 0 GKABHN Clc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348956 222234914 /nfs/dbraw/zinc/23/49/14/222234914.db2.gz SUUBIGGYMZAJGU-LJQANCHMSA-N 0 3 377.919 5.100 40 0 GKABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072354563 222238348 /nfs/dbraw/zinc/23/83/48/222238348.db2.gz MFGFDXNEZYFKEE-IBGZPJMESA-N 0 3 398.432 5.082 40 0 GKABHN O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039749128 534383523 /nfs/dbraw/zinc/38/35/23/534383523.db2.gz WRRXOKWYCMCDJI-UHFFFAOYSA-N 0 3 388.486 5.343 40 0 GKABHN O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408613716 534680407 /nfs/dbraw/zinc/68/04/07/534680407.db2.gz ZQAUXIMOVDQAMC-SANMLTNESA-N 0 3 396.534 5.017 40 0 GKABHN CC(C)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000409119576 528199133 /nfs/dbraw/zinc/19/91/33/528199133.db2.gz SWHKWKIZMIGSPI-UHFFFAOYSA-N 0 3 384.523 5.621 40 0 GKABHN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C/C=C/c1ccccc1 ZINC000006554646 560206067 /nfs/dbraw/zinc/20/60/67/560206067.db2.gz YHYQZSVKBBWONV-TXZWEJDASA-N 0 3 391.555 5.467 40 0 biogenic,in-vitro GKABHN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C/C=C/c1ccccc1 ZINC000006554656 560206135 /nfs/dbraw/zinc/20/61/35/560206135.db2.gz YHYQZSVKBBWONV-JAPVGVQISA-N 0 3 391.555 5.467 40 0 biogenic,in-vitro GKABHN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(C(C)C)cc2)C1 ZINC000008636112 560210579 /nfs/dbraw/zinc/21/05/79/560210579.db2.gz BVWABTFTWZUNPK-DNQXCXABSA-N 0 3 385.555 5.814 40 0 biogenic,in-vitro GKABHN CC/C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 ZINC000013319948 560214248 /nfs/dbraw/zinc/21/42/48/560214248.db2.gz DODQJNMQWMSYGS-OCEACIFDSA-N 0 3 387.523 5.702 40 0 in-vitro GKABHN CC1CCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000020451664 570257482 /nfs/dbraw/zinc/25/74/82/570257482.db2.gz KWGBAIMRRNKYEI-UHFFFAOYSA-N 0 3 391.342 5.155 40 0 GKABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215628 570313673 /nfs/dbraw/zinc/31/36/73/570313673.db2.gz FYDGJCROILLXAT-FQEVSTJZSA-N 0 3 387.568 5.703 40 0 GKABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214880 570314859 /nfs/dbraw/zinc/31/48/59/570314859.db2.gz NKOMTUGBRZDLPM-LJQANCHMSA-N 0 3 375.557 5.415 40 0 GKABHN CCCCN1CCCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214763 570315026 /nfs/dbraw/zinc/31/50/26/570315026.db2.gz BOUPMTDMXODRII-IBGZPJMESA-N 0 3 375.557 5.560 40 0 GKABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072214761 570315087 /nfs/dbraw/zinc/31/50/87/570315087.db2.gz AZFUTLGXSPAJTI-LJQANCHMSA-N 0 3 375.557 5.416 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072214998 570315314 /nfs/dbraw/zinc/31/53/14/570315314.db2.gz HDWDEVSMPATFIQ-IBGZPJMESA-N 0 3 375.557 5.559 40 0 GKABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214941 570315354 /nfs/dbraw/zinc/31/53/54/570315354.db2.gz ZUPFSHORESGPBN-IBGZPJMESA-N 0 3 375.557 5.415 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072215000 570315397 /nfs/dbraw/zinc/31/53/97/570315397.db2.gz BXUVKLMJSRFHRZ-FQEVSTJZSA-N 0 3 389.584 5.806 40 0 GKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214942 570315463 /nfs/dbraw/zinc/31/54/63/570315463.db2.gz JYQLYNQTGXZVRB-LJQANCHMSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072214999 570315519 /nfs/dbraw/zinc/31/55/19/570315519.db2.gz HDWDEVSMPATFIQ-LJQANCHMSA-N 0 3 375.557 5.559 40 0 GKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CCC ZINC000072215056 570315551 /nfs/dbraw/zinc/31/55/51/570315551.db2.gz QWEAJBZPRYPXDU-IBGZPJMESA-N 0 3 375.557 5.560 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC(C)C ZINC000072215236 570315728 /nfs/dbraw/zinc/31/57/28/570315728.db2.gz KMIFNHOVBNKCGD-PKOBYXMFSA-N 0 3 375.557 5.415 40 0 GKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CC1 ZINC000072215311 570315750 /nfs/dbraw/zinc/31/57/50/570315750.db2.gz MDBSQJGOYQAYJC-NRFANRHFSA-N 0 3 393.531 5.323 40 0 GKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 ZINC000072215158 570315868 /nfs/dbraw/zinc/31/58/68/570315868.db2.gz GZNTUPIVEZVJFD-AZUAARDMSA-N 0 3 389.584 5.805 40 0 GKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC(C)C ZINC000072215235 570315993 /nfs/dbraw/zinc/31/59/93/570315993.db2.gz KMIFNHOVBNKCGD-IEBWSBKVSA-N 0 3 375.557 5.415 40 0 GKABHN CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215682 570316639 /nfs/dbraw/zinc/31/66/39/570316639.db2.gz OEBHRAALRNHTKA-FQEVSTJZSA-N 0 3 387.568 5.701 40 0 GKABHN CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215681 570316721 /nfs/dbraw/zinc/31/67/21/570316721.db2.gz OEBHRAALRNHTKA-HXUWFJFHSA-N 0 3 387.568 5.701 40 0 GKABHN C[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076565 570320844 /nfs/dbraw/zinc/32/08/44/570320844.db2.gz RXJHWJVVFQJHSU-XCLFUZPHSA-N 0 3 376.283 5.465 40 0 GKABHN C[C@@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H](O)c1ccccc1 ZINC000022076851 570320934 /nfs/dbraw/zinc/32/09/34/570320934.db2.gz GBCZHEWAVTUHPW-ZUOKHONESA-N 0 3 376.283 5.465 40 0 GKABHN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044905748 570322562 /nfs/dbraw/zinc/32/25/62/570322562.db2.gz BMEZBAFJWSWZDW-QUCCMNQESA-N 0 3 384.951 5.046 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)NCCCc3ccc(C(C)C)cc3)CC2)c1 ZINC000219407828 570359327 /nfs/dbraw/zinc/35/93/27/570359327.db2.gz RXYLQJGEYBCBAE-UHFFFAOYSA-N 0 3 392.587 5.079 40 0 GKABHN CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176987 570361196 /nfs/dbraw/zinc/36/11/96/570361196.db2.gz KLOBRRLODJPCDR-GWMMUDDPSA-N 0 3 385.551 5.708 40 0 GKABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000057774465 570373823 /nfs/dbraw/zinc/37/38/23/570373823.db2.gz HLXLYAKKZZYYOS-CQSZACIVSA-N 0 3 393.384 5.069 40 0 GKABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802804 570406288 /nfs/dbraw/zinc/40/62/88/570406288.db2.gz BEWVWNGYSGPFME-URPHZZJISA-N 0 3 391.942 5.726 40 0 GKABHN O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222813560 570427186 /nfs/dbraw/zinc/42/71/86/570427186.db2.gz PLEGMWXGZOAMCJ-QFIPXVFZSA-N 0 3 392.930 5.022 40 0 GKABHN c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2NC2CCCCC2)cc1 ZINC000005105035 570429732 /nfs/dbraw/zinc/42/97/32/570429732.db2.gz PIWBBRRXNVVFGQ-SXOMAYOGSA-N 0 3 395.550 5.943 40 0 GKABHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222944291 570432328 /nfs/dbraw/zinc/43/23/28/570432328.db2.gz JNKDLPCQSJFYQV-IBGZPJMESA-N 0 3 376.544 5.042 40 0 GKABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000039766554 570445954 /nfs/dbraw/zinc/44/59/54/570445954.db2.gz XXQMHRLCESVYDH-UHFFFAOYSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220920 570452757 /nfs/dbraw/zinc/45/27/57/570452757.db2.gz GFVHAXJDPCZWTP-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223469859 570467322 /nfs/dbraw/zinc/46/73/22/570467322.db2.gz YDXMCJGJZFRZPR-NRFANRHFSA-N 0 3 378.560 5.010 40 0 GKABHN O=C1CCCCCCCCCC[C@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000006575015 570484008 /nfs/dbraw/zinc/48/40/08/570484008.db2.gz VQMYAVZCQWJTBY-SANMLTNESA-N 0 3 391.599 6.789 40 0 GKABHN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030751076 570494361 /nfs/dbraw/zinc/49/43/61/570494361.db2.gz JEBIOCSWBDFNND-XMMPIXPASA-N 0 3 394.559 5.198 40 0 GKABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000030850297 570498039 /nfs/dbraw/zinc/49/80/39/570498039.db2.gz LDXOLASYSBEGKI-FQEVSTJZSA-N 0 3 392.587 5.707 40 0 GKABHN CCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007261656 570502060 /nfs/dbraw/zinc/50/20/60/570502060.db2.gz JZLXBIQYXFETAA-UHFFFAOYSA-N 0 3 382.729 5.571 40 0 GKABHN c1ccc(CN[C@@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000031719781 570505921 /nfs/dbraw/zinc/50/59/21/570505921.db2.gz MXHKBHYUIWOIKQ-NDEPHWFRSA-N 0 3 393.530 6.339 40 0 GKABHN O[C@H](c1ccccc1)[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000031923990 570507519 /nfs/dbraw/zinc/50/75/19/570507519.db2.gz ZGULMLKTCWGICW-UPRLRBBYSA-N 0 3 393.530 6.035 40 0 GKABHN O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccccc2)CC1 ZINC000224525688 570516389 /nfs/dbraw/zinc/51/63/89/570516389.db2.gz LDTCBYHXVDYQEU-UHFFFAOYSA-N 0 3 384.479 5.437 40 0 GKABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCC ZINC000008253853 570525517 /nfs/dbraw/zinc/52/55/17/570525517.db2.gz HJQCKQLEZJIWCA-CQSZACIVSA-N 0 3 378.310 5.097 40 0 GKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCC ZINC000008253851 570525610 /nfs/dbraw/zinc/52/56/10/570525610.db2.gz HJQCKQLEZJIWCA-AWEZNQCLSA-N 0 3 378.310 5.097 40 0 GKABHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008254177 570526238 /nfs/dbraw/zinc/52/62/38/570526238.db2.gz TZJRTIHVWUCRNG-UHFFFAOYSA-N 0 3 399.893 5.747 40 0 GKABHN CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008254545 570526248 /nfs/dbraw/zinc/52/62/48/570526248.db2.gz BJKNNSSSSYIQOI-UHFFFAOYSA-N 0 3 399.893 5.747 40 0 GKABHN CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224806127 570531824 /nfs/dbraw/zinc/53/18/24/570531824.db2.gz SJYGBOJPMNENIG-DTQAZKPQSA-N 0 3 390.571 5.300 40 0 GKABHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470256 570531904 /nfs/dbraw/zinc/53/19/04/570531904.db2.gz QTHSMYGAHDTXSY-UHFFFAOYSA-N 0 3 385.866 5.357 40 0 GKABHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1F ZINC000008470509 570531975 /nfs/dbraw/zinc/53/19/75/570531975.db2.gz RIVPFBMKUYRPHE-UHFFFAOYSA-N 0 3 391.895 5.418 40 0 GKABHN COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1 ZINC000008495304 570532903 /nfs/dbraw/zinc/53/29/03/570532903.db2.gz ZXSMISJLBFGXCI-UHFFFAOYSA-N 0 3 399.893 5.399 40 0 GKABHN C[C@@H](NCc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000008535296 570533320 /nfs/dbraw/zinc/53/33/20/570533320.db2.gz FRYBPNKISNSRKL-LJQANCHMSA-N 0 3 385.482 6.409 40 0 GKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)CC1 ZINC000224964100 570540114 /nfs/dbraw/zinc/54/01/14/570540114.db2.gz CWZROAWGEFLOCH-UHFFFAOYSA-N 0 3 391.559 5.161 40 0 GKABHN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCC4)cc3)ccc21 ZINC000010113910 570566083 /nfs/dbraw/zinc/56/60/83/570566083.db2.gz NRILFCHMAILWTE-UHFFFAOYSA-N 0 3 397.522 5.663 40 0 GKABHN COc1ccccc1CN(CCCn1ccnc1)Cc1c(C)oc2ccccc21 ZINC000036740339 570568991 /nfs/dbraw/zinc/56/89/91/570568991.db2.gz ILARSCJDMMLFCC-UHFFFAOYSA-N 0 3 389.499 5.039 40 0 GKABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038835008 570586313 /nfs/dbraw/zinc/58/63/13/570586313.db2.gz HKAOFJHDWZMKBK-AWEZNQCLSA-N 0 3 397.733 5.498 40 0 GKABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834698 570586659 /nfs/dbraw/zinc/58/66/59/570586659.db2.gz HDANTTLTAAACLK-HNNXBMFYSA-N 0 3 396.840 5.210 40 0 GKABHN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038849498 570587861 /nfs/dbraw/zinc/58/78/61/570587861.db2.gz VSTFJVAVHLSXFE-MRXNPFEDSA-N 0 3 377.315 5.153 40 0 GKABHN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038856184 570588211 /nfs/dbraw/zinc/58/82/11/570588211.db2.gz BMUWTNNAFSQBKE-FQEVSTJZSA-N 0 3 384.951 5.316 40 0 GKABHN Cc1ccc(CN(CCCn2ccnc2)Cc2oc3ccccc3c2C)s1 ZINC000043277898 570627043 /nfs/dbraw/zinc/62/70/43/570627043.db2.gz XXVVATLKPHLQGW-UHFFFAOYSA-N 0 3 379.529 5.400 40 0 GKABHN O=C(NCc1cccc2ccccc21)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903961 570632165 /nfs/dbraw/zinc/63/21/65/570632165.db2.gz AJHVVNNCJMTXJI-NRFANRHFSA-N 0 3 392.930 5.022 40 0 GKABHN Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000004857225 570638386 /nfs/dbraw/zinc/63/83/86/570638386.db2.gz RCFJPAORUQWPHZ-NOTZXAQLSA-N 0 3 393.600 5.176 40 0 GKABHN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044905744 570641569 /nfs/dbraw/zinc/64/15/69/570641569.db2.gz BMEZBAFJWSWZDW-UYAOXDASSA-N 0 3 384.951 5.046 40 0 GKABHN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000044905909 570641894 /nfs/dbraw/zinc/64/18/94/570641894.db2.gz JDVSDBPVURATJN-OAQYLSRUSA-N 0 3 398.550 5.353 40 0 GKABHN Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004883270 570642625 /nfs/dbraw/zinc/64/26/25/570642625.db2.gz PYCMQGUIBKCKGU-YQQQUEKLSA-N 0 3 383.561 5.072 40 0 GKABHN CC(C)C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000044936982 570644465 /nfs/dbraw/zinc/64/44/65/570644465.db2.gz MAFMPYRNIXNOQL-DEOSSOPVSA-N 0 3 378.560 5.436 40 0 GKABHN CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000008578442 570681075 /nfs/dbraw/zinc/68/10/75/570681075.db2.gz YULJENCEDMKCBO-IHWFROFDSA-N 0 3 399.629 5.183 40 0 GKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000101682295 570717114 /nfs/dbraw/zinc/71/71/14/570717114.db2.gz BEWVWNGYSGPFME-MGKKLRQFSA-N 0 3 391.942 5.726 40 0 GKABHN CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008377359 570768726 /nfs/dbraw/zinc/76/87/26/570768726.db2.gz WYVXXGQFVXEOMQ-UHFFFAOYSA-N 0 3 375.093 5.054 40 0 GKABHN CCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730639 570863830 /nfs/dbraw/zinc/86/38/30/570863830.db2.gz KVDYXLSZJRNUOR-UHFFFAOYSA-N 0 3 387.115 5.361 40 0 GKABHN CCn1c2ccccc2c2cc(CN3CCN(C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)ccc21 ZINC000169706554 570905152 /nfs/dbraw/zinc/90/51/52/570905152.db2.gz XXBYUKOZMOTUIR-MDNUFGMLSA-N 0 3 399.582 5.144 40 0 GKABHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000044856304 570914588 /nfs/dbraw/zinc/91/45/88/570914588.db2.gz HXMIHKHDUSTAHV-RXVVDRJESA-N 0 3 384.951 5.046 40 0 GKABHN Clc1ccc(COc2ccc3ccccc3c2CNC[C@H]2CCCO2)cc1 ZINC000016525873 570927358 /nfs/dbraw/zinc/92/73/58/570927358.db2.gz UAXVYMZNVUZTTI-HXUWFJFHSA-N 0 3 381.903 5.341 40 0 GKABHN CCc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O ZINC000036614397 570943012 /nfs/dbraw/zinc/94/30/12/570943012.db2.gz INNVAFCCUUWNAL-NHTMILBNSA-N 0 3 399.962 5.476 40 0 GKABHN CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863318 570998470 /nfs/dbraw/zinc/99/84/70/570998470.db2.gz QTRIGFJYNKGEIO-SSUZURRFSA-N 0 3 389.514 5.761 40 0 GKABHN COc1ccc(C2(NCc3c(C)nn(Cc4ccccc4)c3C)CCCC2)cc1 ZINC000019578356 571012182 /nfs/dbraw/zinc/01/21/82/571012182.db2.gz ARQJSYNUARGLMH-UHFFFAOYSA-N 0 3 389.543 5.116 40 0 GKABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096053031 571097691 /nfs/dbraw/zinc/09/76/91/571097691.db2.gz GOHARUVZMNVZRC-HXUWFJFHSA-N 0 3 396.600 5.028 40 0 GKABHN C/C(=C\c1ccccc1)CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019564969 210266124 /nfs/dbraw/zinc/26/61/24/210266124.db2.gz NRDMCZZCCACNPX-NTCAYCPXSA-N 0 3 397.469 5.752 40 0 GKABHN CCOc1ccc([C@H](C)N(C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000019532661 210260207 /nfs/dbraw/zinc/26/02/07/210260207.db2.gz GGTKCUJOSDLTRD-KKSFZXQISA-N 0 3 379.504 5.006 40 0 GKABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(F)c(F)c2)on1 ZINC000019120478 210225538 /nfs/dbraw/zinc/22/55/38/210225538.db2.gz ZXCQZMRSBGTMNZ-WMZHIEFXSA-N 0 3 397.469 5.070 40 0 GKABHN Fc1ccc(COc2ccc(Cl)cc2CNCCc2ccccc2F)cc1 ZINC000016449525 210191412 /nfs/dbraw/zinc/19/14/12/210191412.db2.gz BKHMFHUFNAYWPI-UHFFFAOYSA-N 0 3 387.857 5.530 40 0 GKABHN