smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[C@H](C)N2CCN(C/C=C/c3ccccc3)CC2)ccc1O ZINC000023281064 939966253 /nfs/dbraw/zinc/96/62/53/939966253.db2.gz XZVWXUVQSALEME-AIADIJKESA-N 0 1 366.505 3.663 50 0 FHAAMN CCC[C@@]1(COC)CCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000194929735 940204583 /nfs/dbraw/zinc/20/45/83/940204583.db2.gz YXHTXGZFTDNKIQ-IBGZPJMESA-N 0 1 363.433 3.569 50 0 FHAAMN CCc1ocnc1C(=O)N1CCc2n[nH]c(CCC3CCCCC3)c2C1 ZINC000023541650 940604411 /nfs/dbraw/zinc/60/44/11/940604411.db2.gz DRPCIPUYUXQKFZ-UHFFFAOYSA-N 0 1 356.470 3.672 50 0 FHAAMN Cc1cnc(C2CC2)n1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000581808757 940617119 /nfs/dbraw/zinc/61/71/19/940617119.db2.gz KEQZZICSEJEOMI-MRXNPFEDSA-N 0 1 353.466 3.700 50 0 FHAAMN CC(C)Cc1cc(=O)[nH]c(-c2cccc(CN(C)Cc3ccoc3)c2)n1 ZINC000023581160 940744258 /nfs/dbraw/zinc/74/42/58/940744258.db2.gz DGLYOHCENXPGRR-UHFFFAOYSA-N 0 1 351.450 3.860 50 0 FHAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N[C@H]1CCCc2occc21 ZINC000126378321 943198070 /nfs/dbraw/zinc/19/80/70/943198070.db2.gz VPNOCLHEYHQPSQ-IRXDYDNUSA-N 0 1 357.454 3.776 50 0 FHAAMN CCCCN(Cc1ccco1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCCC2)N1 ZINC000675018075 943619811 /nfs/dbraw/zinc/61/98/11/943619811.db2.gz TZIOUVJJXNDTIQ-SFHVURJKSA-N 0 1 370.497 3.505 50 0 FHAAMN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3ccc(F)cc3)CC2)nc1 ZINC000675017067 943626003 /nfs/dbraw/zinc/62/60/03/943626003.db2.gz PPZZJWWJQWMXCG-UHFFFAOYSA-N 0 1 367.468 3.686 50 0 FHAAMN CC(C)C=N/N=C1\NC(=O)C(Cc2ccc(SC(F)F)cc2)S1 ZINC000254699495 947601756 /nfs/dbraw/zinc/60/17/56/947601756.db2.gz WWPQKMOSPVDZSZ-GFCCVEGCSA-N 0 1 357.451 3.773 50 0 FHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000000755659 948017722 /nfs/dbraw/zinc/01/77/22/948017722.db2.gz ONIVCUKMZNQYTF-LBPRGKRZSA-N 0 1 359.333 3.591 50 0 FHAAMN [O-][C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccncc2)cs1 ZINC000004916086 203809491 /nfs/dbraw/zinc/80/94/91/203809491.db2.gz ZKEVILHGHHTJSI-NHYWBVRUSA-N 0 1 368.384 3.822 50 0 FHAAMN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc(C)ccc3C)c(O)c12 ZINC000010166781 204001350 /nfs/dbraw/zinc/00/13/50/204001350.db2.gz OQCMFBQQDOSNIZ-UHFFFAOYSA-N 0 1 372.428 3.891 50 0 FHAAMN CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000010329629 204010003 /nfs/dbraw/zinc/01/00/03/204010003.db2.gz RZLGQNXUSRXMTJ-INIZCTEOSA-N 0 1 365.246 3.621 50 0 FHAAMN S=C(NCCc1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000003335612 204091985 /nfs/dbraw/zinc/09/19/85/204091985.db2.gz LAZFFFRIVAOXRY-SFHVURJKSA-N 0 1 357.523 3.513 50 0 FHAAMN COc1cc(-c2n[nH]c(=S)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000002824579 204060914 /nfs/dbraw/zinc/06/09/14/204060914.db2.gz BDLQMACZZDLBTB-UHFFFAOYSA-N 0 1 357.435 3.931 50 0 FHAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)NCc1ccc(Cl)cc1 ZINC000003550395 204106068 /nfs/dbraw/zinc/10/60/68/204106068.db2.gz RKOWMRZZCXZQKC-UHFFFAOYSA-N 0 1 358.854 3.534 50 0 FHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N(C)C3CCCCC3)n2)cc1 ZINC000003551292 204106165 /nfs/dbraw/zinc/10/61/65/204106165.db2.gz PCBNPBBIPFLKSF-UHFFFAOYSA-N 0 1 358.511 3.917 50 0 FHAAMN COc1cccc(-c2cnc(NCc3cccc(OC)c3OC)n2C)c1 ZINC000004678543 204154361 /nfs/dbraw/zinc/15/43/61/204154361.db2.gz NZWWVTBZARXXMH-UHFFFAOYSA-N 0 1 353.422 3.725 50 0 FHAAMN O=C([C@H]1CCCN(Cc2ccc(Br)cc2)C1)N1CCCCC1 ZINC000004746163 204159818 /nfs/dbraw/zinc/15/98/18/204159818.db2.gz QAWVNVBIWZKJJF-INIZCTEOSA-N 0 1 365.315 3.674 50 0 FHAAMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004741627 204160039 /nfs/dbraw/zinc/16/00/39/204160039.db2.gz LARYCWKUWOUFCG-HXUWFJFHSA-N 0 1 369.428 3.902 50 0 FHAAMN O=C(c1ccccc1Br)N1CCN(C2CCCCC2)CC1 ZINC000004805613 204164131 /nfs/dbraw/zinc/16/41/31/204164131.db2.gz LQAPDHRJIOZCPY-UHFFFAOYSA-N 0 1 351.288 3.540 50 0 FHAAMN COc1ccc2nc(S[C@H](C)C(=O)N3CCc4ccccc43)[nH]c2c1 ZINC000004252487 204129321 /nfs/dbraw/zinc/12/93/21/204129321.db2.gz OFOWFDLYSIGNJL-GFCCVEGCSA-N 0 1 353.447 3.641 50 0 FHAAMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)[nH]c2c1 ZINC000004273696 204130308 /nfs/dbraw/zinc/13/03/08/204130308.db2.gz SDGUYNAIKAIHKO-VIFPVBQESA-N 0 1 362.842 3.739 50 0 FHAAMN O=c1cc(CSc2nc(-c3ccccc3)n[nH]2)c2ccc(O)cc2o1 ZINC000004394882 204138398 /nfs/dbraw/zinc/13/83/98/204138398.db2.gz LVWUDCBUGXQVGY-UHFFFAOYSA-N 0 1 351.387 3.576 50 0 FHAAMN Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O ZINC000005329320 204203923 /nfs/dbraw/zinc/20/39/23/204203923.db2.gz RJDXIQPXMYLRRY-UHFFFAOYSA-N 0 1 364.854 3.576 50 0 FHAAMN O=C([C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1)N1CCCC1 ZINC000005505152 204212554 /nfs/dbraw/zinc/21/25/54/204212554.db2.gz VQESTSZRFWGCGZ-KRWDZBQOSA-N 0 1 364.474 3.928 50 0 FHAAMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000005558865 204214646 /nfs/dbraw/zinc/21/46/46/204214646.db2.gz RRIDLNXYLFXCPN-UHFFFAOYSA-N 0 1 374.853 3.865 50 0 FHAAMN CC(C)Cc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000005563302 204216375 /nfs/dbraw/zinc/21/63/75/204216375.db2.gz PIXWNGDGTMAVIV-UHFFFAOYSA-N 0 1 354.273 3.741 50 0 FHAAMN CC(C)Cc1n[nH]c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000005563302 204216377 /nfs/dbraw/zinc/21/63/77/204216377.db2.gz PIXWNGDGTMAVIV-UHFFFAOYSA-N 0 1 354.273 3.741 50 0 FHAAMN COc1ccc(OC)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000005598747 204217428 /nfs/dbraw/zinc/21/74/28/204217428.db2.gz QENXJBGJBXOXMP-UHFFFAOYSA-N 0 1 361.341 3.523 50 0 FHAAMN CCOc1ccc2nc(SCC(=O)Nc3ccccc3OC)[nH]c2c1 ZINC000005024990 204184547 /nfs/dbraw/zinc/18/45/47/204184547.db2.gz FKXBAZQEMPIYAO-UHFFFAOYSA-N 0 1 357.435 3.701 50 0 FHAAMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccnn3C(C)C)[nH]c2c1 ZINC000005667381 204219740 /nfs/dbraw/zinc/21/97/40/204219740.db2.gz YWZSCHVKMBKRII-LBPRGKRZSA-N 0 1 373.482 3.858 50 0 FHAAMN Cc1cc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000005704746 204221666 /nfs/dbraw/zinc/22/16/66/204221666.db2.gz SJNMSJJWXVYJAQ-QGZVFWFLSA-N 0 1 362.857 3.574 50 0 FHAAMN CCC(CC)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000005864598 204228440 /nfs/dbraw/zinc/22/84/40/204228440.db2.gz JYOYTNNQYPMJIU-UHFFFAOYSA-N 0 1 368.890 3.531 50 0 FHAAMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006035418 204234438 /nfs/dbraw/zinc/23/44/38/204234438.db2.gz GYNVQZSFBBAOHH-NWDGAFQWSA-N 0 1 370.503 3.992 50 0 FHAAMN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)c1C ZINC000006292201 204243222 /nfs/dbraw/zinc/24/32/22/204243222.db2.gz MGQDAEBANQSNJG-LBPRGKRZSA-N 0 1 371.462 3.966 50 0 FHAAMN Cc1ccc(C(=O)CCC(=O)NCc2ccccc2CN(C)C)cc1C ZINC000007065784 204288299 /nfs/dbraw/zinc/28/82/99/204288299.db2.gz ZNZFDRFRZLNYRR-UHFFFAOYSA-N 0 1 352.478 3.644 50 0 FHAAMN COc1ccc2nc(SCC(=O)Nc3ccnn3C3CCCC3)[nH]c2c1 ZINC000008013470 204315369 /nfs/dbraw/zinc/31/53/69/204315369.db2.gz UWRYYWWBNPZTTM-UHFFFAOYSA-N 0 1 371.466 3.614 50 0 FHAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCOc1ccccc1 ZINC000008015017 204315977 /nfs/dbraw/zinc/31/59/77/204315977.db2.gz SYCGTVKLQJZDAS-UHFFFAOYSA-N 0 1 361.854 3.504 50 0 FHAAMN COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCC2)cc1 ZINC000009448977 204368742 /nfs/dbraw/zinc/36/87/42/204368742.db2.gz VGRUFVIURIIUEC-SFHVURJKSA-N 0 1 370.518 3.812 50 0 FHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3cccs3)n2)cc1 ZINC000009451536 204368823 /nfs/dbraw/zinc/36/88/23/204368823.db2.gz ODWVJWDJCOSAKZ-GFCCVEGCSA-N 0 1 372.519 3.893 50 0 FHAAMN CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Br)cc1 ZINC000009477013 204369204 /nfs/dbraw/zinc/36/92/04/204369204.db2.gz DAUPVQAHILKCDT-CYBMUJFWSA-N 0 1 359.227 3.602 50 0 FHAAMN C[C@H](C(=O)N1CCCCCC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009500017 204370864 /nfs/dbraw/zinc/37/08/64/204370864.db2.gz SWJVZJPSNLMEIL-MRXNPFEDSA-N 0 1 355.482 3.798 50 0 FHAAMN CC(=O)Nc1cc(C(=O)CSc2ccc3ccccc3n2)ccc1O ZINC000008720861 204340978 /nfs/dbraw/zinc/34/09/78/204340978.db2.gz CUOPNEYJHAZGOX-UHFFFAOYSA-N 0 1 352.415 3.874 50 0 FHAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000009837435 204383474 /nfs/dbraw/zinc/38/34/74/204383474.db2.gz PVTOMVOUSUNADB-SNVBAGLBSA-N 0 1 367.409 3.701 50 0 FHAAMN O[C@H](COCc1ccco1)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036103019 205005705 /nfs/dbraw/zinc/00/57/05/205005705.db2.gz HOYHPUDPGOWWIF-FQEVSTJZSA-N 0 1 369.436 3.999 50 0 FHAAMN CCN(CC)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345197 205009960 /nfs/dbraw/zinc/00/99/60/205009960.db2.gz ICRQWXDKXITSHN-FQEVSTJZSA-N 0 1 353.441 3.845 50 0 FHAAMN O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000071195728 205026924 /nfs/dbraw/zinc/02/69/24/205026924.db2.gz FCTJTNUMHNLONK-QWFCFKBJSA-N 0 1 358.445 3.565 50 0 FHAAMN COc1cc(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)cc(OC)c1OC ZINC000040267539 205064374 /nfs/dbraw/zinc/06/43/74/205064374.db2.gz JDXHZDXQPXSNTN-UHFFFAOYSA-N 0 1 369.421 3.964 50 0 FHAAMN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478342 205071602 /nfs/dbraw/zinc/07/16/02/205071602.db2.gz AAUIQTBFMQHVIM-UHFFFAOYSA-N 0 1 353.353 3.645 50 0 FHAAMN Cc1cc(NC(=O)CCN2CCC[C@@H]2c2nc3ccccc3s2)no1 ZINC000046437955 205135751 /nfs/dbraw/zinc/13/57/51/205135751.db2.gz ZLLDDGIUQCAJNO-CQSZACIVSA-N 0 1 356.451 3.758 50 0 FHAAMN CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000046804755 205138241 /nfs/dbraw/zinc/13/82/41/205138241.db2.gz FEJODCXNUXYXDX-OLZOCXBDSA-N 0 1 359.857 3.976 50 0 FHAAMN O=C(NC1(c2ccccc2)CCC1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000051418711 205181851 /nfs/dbraw/zinc/18/18/51/205181851.db2.gz BURCGIKYLRTYQO-UHFFFAOYSA-N 0 1 351.431 3.807 50 0 FHAAMN Cc1cccc(-c2ncc(CNCc3ccccc3Cn3cccn3)cn2)c1 ZINC000055228635 205210941 /nfs/dbraw/zinc/21/09/41/205210941.db2.gz FAMRWURPWAWNMQ-UHFFFAOYSA-N 0 1 369.472 3.987 50 0 FHAAMN O=C(Nc1cccc(OC(F)F)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000053434560 205193650 /nfs/dbraw/zinc/19/36/50/205193650.db2.gz ZGVURSKNALKRBA-UHFFFAOYSA-N 0 1 363.345 3.852 50 0 FHAAMN C[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000057873076 205245708 /nfs/dbraw/zinc/24/57/08/205245708.db2.gz BXAQIBVFSCYUFF-AWEZNQCLSA-N 0 1 371.868 3.756 50 0 FHAAMN COc1ccc(CNC(=O)[C@@H](C)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000058137785 205250770 /nfs/dbraw/zinc/25/07/70/205250770.db2.gz OEKYKPCODCAABJ-CYBMUJFWSA-N 0 1 366.383 3.509 50 0 FHAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000058137320 205251235 /nfs/dbraw/zinc/25/12/35/205251235.db2.gz XJABFZDAAYDPJX-INIZCTEOSA-N 0 1 365.477 3.648 50 0 FHAAMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3ccco3)n2)C1 ZINC000058159820 205252408 /nfs/dbraw/zinc/25/24/08/205252408.db2.gz QKBIGEZFKKKZGH-ZBFHGGJFSA-N 0 1 367.474 3.968 50 0 FHAAMN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(C(=O)Nc2cnccn2)CC1 ZINC000058172460 205253706 /nfs/dbraw/zinc/25/37/06/205253706.db2.gz RKPUKCHZOHDUPX-LBPRGKRZSA-N 0 1 362.836 3.681 50 0 FHAAMN CC(C)c1nc(CNC2CCN(C(=O)c3ccccc3F)CC2)cs1 ZINC000058231579 205265287 /nfs/dbraw/zinc/26/52/87/205265287.db2.gz BMUGAVONGDPGHO-UHFFFAOYSA-N 0 1 361.486 3.800 50 0 FHAAMN Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000058311460 205269723 /nfs/dbraw/zinc/26/97/23/205269723.db2.gz HMHHQKMCKHJYSC-UHFFFAOYSA-N 0 1 358.405 3.592 50 0 FHAAMN O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)NCc1ccccc1F ZINC000058428719 205275550 /nfs/dbraw/zinc/27/55/50/205275550.db2.gz ZRHNCEAUHXEUJD-UHFFFAOYSA-N 0 1 365.452 3.803 50 0 FHAAMN O=C(NCc1ccc(F)cc1F)C1=CCN(Cc2cccc(F)c2)CC1 ZINC000064818086 205306494 /nfs/dbraw/zinc/30/64/94/205306494.db2.gz BKYXKGVJBPDNIV-UHFFFAOYSA-N 0 1 360.379 3.552 50 0 FHAAMN Cc1sc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1-c1ccno1 ZINC000064845015 205307130 /nfs/dbraw/zinc/30/71/30/205307130.db2.gz ZCJNAPHQLNKRFG-UHFFFAOYSA-N 0 1 352.412 3.960 50 0 FHAAMN O=S(=O)(Nc1ccccc1F)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920188 205310434 /nfs/dbraw/zinc/31/04/34/205310434.db2.gz YBYMJPRRISMDPG-UHFFFAOYSA-N 0 1 365.411 3.615 50 0 FHAAMN COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1cccc(C)c1C ZINC000064979525 205312429 /nfs/dbraw/zinc/31/24/29/205312429.db2.gz VVZITWGHXNVGMC-UHFFFAOYSA-N 0 1 358.419 3.768 50 0 FHAAMN COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000064979582 205313044 /nfs/dbraw/zinc/31/30/44/205313044.db2.gz RKSSXWNAQAOBMH-UHFFFAOYSA-N 0 1 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ZINC000071755107 571165299 /nfs/dbraw/zinc/16/52/99/571165299.db2.gz MTSAQECHEXKWPV-UHFFFAOYSA-N 0 1 371.404 3.540 50 0 FHAAMN CCCCc1nc(-c2nccn2-c2ccc3[nH]c(CO)nc3c2)c(Cl)[nH]1 ZINC000071758851 571165395 /nfs/dbraw/zinc/16/53/95/571165395.db2.gz KZJJQBBQYNBKSV-UHFFFAOYSA-N 0 1 370.844 3.627 50 0 FHAAMN COCc1ncc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071767916 571166028 /nfs/dbraw/zinc/16/60/28/571166028.db2.gz YQRBECVXKZANDP-OAHLLOKOSA-N 0 1 361.436 3.746 50 0 FHAAMN O=C([O-])CC[N@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000071776369 571166578 /nfs/dbraw/zinc/16/65/78/571166578.db2.gz ZJJLOXWYSRCUNL-QGZVFWFLSA-N 0 1 355.409 3.862 50 0 FHAAMN CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000060561331 571167361 /nfs/dbraw/zinc/16/73/61/571167361.db2.gz HAJLSVZWWIZPKO-PZJWPPBQSA-N 0 1 370.518 3.554 50 0 FHAAMN CC(=O)N1[C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)CCN1c1ccccc1 ZINC000137111264 571168059 /nfs/dbraw/zinc/16/80/59/571168059.db2.gz PRENDEQIURVRBL-LJQANCHMSA-N 0 1 362.433 3.601 50 0 FHAAMN CCOc1ccc(C(=O)NC[C@@H](c2cc3ccccc3o2)N(C)C)cc1 ZINC000575621134 571173178 /nfs/dbraw/zinc/17/31/78/571173178.db2.gz NNYXCASKMIVYQY-SFHVURJKSA-N 0 1 352.434 3.864 50 0 FHAAMN COc1cccc(OC[C@@H]2CCCN(Cc3ccnc(C(C)C)n3)C2)c1 ZINC000072147929 571173580 /nfs/dbraw/zinc/17/35/80/571173580.db2.gz PVHFXCWQLFGSJL-QGZVFWFLSA-N 0 1 355.482 3.900 50 0 FHAAMN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072154020 571174712 /nfs/dbraw/zinc/17/47/12/571174712.db2.gz QJKHNVFRLRLBBH-LLVKDONJSA-N 0 1 370.232 3.929 50 0 FHAAMN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072154020 571174714 /nfs/dbraw/zinc/17/47/14/571174714.db2.gz QJKHNVFRLRLBBH-LLVKDONJSA-N 0 1 370.232 3.929 50 0 FHAAMN O=C([O-])c1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072157748 571175353 /nfs/dbraw/zinc/17/53/53/571175353.db2.gz CBNRBYXYLOHENV-LBPRGKRZSA-N 0 1 359.809 3.756 50 0 FHAAMN COc1cccc(-n2cc(CN(C)Cc3cc(C(C)(C)C)[nH]n3)cn2)c1 ZINC000072163728 571176488 /nfs/dbraw/zinc/17/64/88/571176488.db2.gz KHNZMUYUUTYDQC-UHFFFAOYSA-N 0 1 353.470 3.534 50 0 FHAAMN CN(C)c1ccc(NC(=O)Cc2n[nH]c3ccccc32)c(C(F)(F)F)c1 ZINC000050589169 571179132 /nfs/dbraw/zinc/17/91/32/571179132.db2.gz KQOQHDDXVRNTPN-UHFFFAOYSA-N 0 1 362.355 3.829 50 0 FHAAMN O=C(c1ccc(-c2cccs2)nc1)N1CCN(C2CCCCC2)CC1 ZINC000075502245 571191099 /nfs/dbraw/zinc/19/10/99/571191099.db2.gz KFZIJBRDHYWLBZ-UHFFFAOYSA-N 0 1 355.507 3.901 50 0 FHAAMN Cc1[nH]nc(CCC(=O)N(C)Cc2csc(-c3cccs3)n2)c1C ZINC000072421179 571193231 /nfs/dbraw/zinc/19/32/31/571193231.db2.gz KNLQMXJRZULNEP-UHFFFAOYSA-N 0 1 360.508 3.803 50 0 FHAAMN CC(C)(C)c1cc([C@H]2c3[nH]cnc3CCN2Cc2ccc(F)c(F)c2)n[nH]1 ZINC000072423241 571193542 /nfs/dbraw/zinc/19/35/42/571193542.db2.gz PUBTZCLVBJLXNJ-IBGZPJMESA-N 0 1 371.435 3.856 50 0 FHAAMN CSCc1ccc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000299764034 571194021 /nfs/dbraw/zinc/19/40/21/571194021.db2.gz QVZSKROXGFHRDK-INIZCTEOSA-N 0 1 358.507 3.670 50 0 FHAAMN CNc1nc(N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)nc2c1CCC2 ZINC000072427907 571194841 /nfs/dbraw/zinc/19/48/41/571194841.db2.gz NXFUTHJJSMAYJR-INIZCTEOSA-N 0 1 371.916 3.737 50 0 FHAAMN O=C(Nc1ccccc1OCc1ccccc1)N1CC(N2CCCCC2)C1 ZINC000299767875 571195114 /nfs/dbraw/zinc/19/51/14/571195114.db2.gz WZGIXCRMGTZUIN-UHFFFAOYSA-N 0 1 365.477 3.968 50 0 FHAAMN O=C(c1cccc2nccnc21)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072429547 571195137 /nfs/dbraw/zinc/19/51/37/571195137.db2.gz FKTOWWBVPMZBQQ-KRWDZBQOSA-N 0 1 361.380 3.623 50 0 FHAAMN CSc1ncc(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)cn1 ZINC000072432641 571195955 /nfs/dbraw/zinc/19/59/55/571195955.db2.gz WOAGOVVXQCATDI-HNNXBMFYSA-N 0 1 371.441 3.581 50 0 FHAAMN CCn1c(-c2cc(NC(=O)c3ccncc3)[nH]n2)cc2c1cccc2OC ZINC000075544418 571197158 /nfs/dbraw/zinc/19/71/58/571197158.db2.gz MJSJTODAHGZHKF-UHFFFAOYSA-N 0 1 361.405 3.707 50 0 FHAAMN CCC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccc(OC(F)F)cc1 ZINC000252457240 571201852 /nfs/dbraw/zinc/20/18/52/571201852.db2.gz 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571210871 /nfs/dbraw/zinc/21/08/71/571210871.db2.gz DHJQCRXLRNYQMV-INIZCTEOSA-N 0 1 366.490 3.785 50 0 FHAAMN Cc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)no1 ZINC000077438826 571211661 /nfs/dbraw/zinc/21/16/61/571211661.db2.gz CWZRSMXPGIDSEX-CQSZACIVSA-N 0 1 354.385 3.532 50 0 FHAAMN CC(=O)c1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077439668 571211741 /nfs/dbraw/zinc/21/17/41/571211741.db2.gz PVHARYRYWGXTKY-UHFFFAOYSA-N 0 1 364.489 3.670 50 0 FHAAMN O=C(c1cnn2ccccc12)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000077470569 571212583 /nfs/dbraw/zinc/21/25/83/571212583.db2.gz ZZPITKHWGYPICO-QGZVFWFLSA-N 0 1 371.444 3.744 50 0 FHAAMN COc1cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)cc(OC)c1OC ZINC000426370480 571216179 /nfs/dbraw/zinc/21/61/79/571216179.db2.gz KHCKXHWLDNVVLT-OAHLLOKOSA-N 0 1 357.450 3.773 50 0 FHAAMN COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000097229478 571216454 /nfs/dbraw/zinc/21/64/54/571216454.db2.gz HRWRZPMAZAUVQA-LJQANCHMSA-N 0 1 355.409 3.850 50 0 FHAAMN Cc1nc2sc([C@H](c3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000023157449 571218874 /nfs/dbraw/zinc/21/88/74/571218874.db2.gz ZKQVYCGRFVCSRZ-ABAIWWIYSA-N 0 1 360.458 3.765 50 0 FHAAMN Cc1nc2cc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)ccc2o1 ZINC000426423072 571223392 /nfs/dbraw/zinc/22/33/92/571223392.db2.gz PQDQAUXQSWQQET-UHFFFAOYSA-N 0 1 363.461 3.969 50 0 FHAAMN COc1ccc(-c2nc(CN3CCC[C@H](c4nccn4C)C3)c(C)o2)cc1 ZINC000082083189 571227626 /nfs/dbraw/zinc/22/76/26/571227626.db2.gz ZXXCKAYQCFJZSV-KRWDZBQOSA-N 0 1 366.465 3.772 50 0 FHAAMN CO[C@]12CCN(Cc3cccc(F)c3F)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426651978 571234229 /nfs/dbraw/zinc/23/42/29/571234229.db2.gz HTERHJWECQOICD-DJPFJPOOSA-N 0 1 374.431 3.951 50 0 FHAAMN CO[C@]12CCN(Cc3cnccc3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426666919 571234640 /nfs/dbraw/zinc/23/46/40/571234640.db2.gz BBQDSTAPGVWDPJ-XKGZKEIXSA-N 0 1 373.884 3.721 50 0 FHAAMN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000011406520 571240864 /nfs/dbraw/zinc/24/08/64/571240864.db2.gz GPMDDDJLWSZRRI-UHFFFAOYSA-N 0 1 357.797 4.000 50 0 FHAAMN CN1CCN(c2ccccc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000007105695 571260886 /nfs/dbraw/zinc/26/08/86/571260886.db2.gz FKQYVQCLWPTZSQ-UHFFFAOYSA-N 0 1 359.473 3.773 50 0 FHAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Br)ccc1F ZINC000250905359 571271490 /nfs/dbraw/zinc/27/14/90/571271490.db2.gz VEFLGJXSFFQALE-VQISRLSMSA-N 0 1 356.235 3.806 50 0 FHAAMN Cc1csc(CCNC(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 ZINC000584884249 571313494 /nfs/dbraw/zinc/31/34/94/571313494.db2.gz RWSLDGASQHSWKC-OAHLLOKOSA-N 0 1 373.457 3.556 50 0 FHAAMN Cc1cc(C)nc(CN(C)C(=O)NCc2nc3ccc(C)c(C)c3[nH]2)c1 ZINC000584886209 571313828 /nfs/dbraw/zinc/31/38/28/571313828.db2.gz KOAPOIVCOZHYEM-UHFFFAOYSA-N 0 1 351.454 3.533 50 0 FHAAMN Cc1nc(C)c(-c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2)[nH]1 ZINC000584890693 571314535 /nfs/dbraw/zinc/31/45/35/571314535.db2.gz SPOPHUPXXBLOAW-FQEVSTJZSA-N 0 1 361.445 3.907 50 0 FHAAMN CCC[C@H]1C=CCN1C(=O)c1ccc(-c2nc(C)[nH]c(=O)c2Cl)cc1 ZINC000584899787 571316013 /nfs/dbraw/zinc/31/60/13/571316013.db2.gz MFPGRJNKKNDMNS-HNNXBMFYSA-N 0 1 357.841 3.579 50 0 FHAAMN COc1ccc(CN(C(=O)c2ccn[nH]2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000093367610 571326471 /nfs/dbraw/zinc/32/64/71/571326471.db2.gz CQLQSFQHTWNTRH-WMLDXEAASA-N 0 1 357.454 3.648 50 0 FHAAMN COC(=O)c1ccc(CCSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000079072670 571326868 /nfs/dbraw/zinc/32/68/68/571326868.db2.gz JGISKRNBAJZQJN-UHFFFAOYSA-N 0 1 357.410 3.732 50 0 FHAAMN CC[C@H](C)NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027601 571328595 /nfs/dbraw/zinc/32/85/95/571328595.db2.gz OOGJIGNGPCFJTA-LSDHHAIUSA-N 0 1 355.482 3.569 50 0 FHAAMN COc1ccc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000095453707 571329933 /nfs/dbraw/zinc/32/99/33/571329933.db2.gz YMIMNCLKBRFLNW-KRWDZBQOSA-N 0 1 363.421 3.849 50 0 FHAAMN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000095453707 571329934 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C[C@H]1CCCN([C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1 ZINC000004436862 204138110 /nfs/dbraw/zinc/13/81/10/204138110.db2.gz ZPVUAOURUGLWNO-KKSFZXQISA-N 0 1 366.461 3.870 50 0 FHAAMN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)cc1 ZINC000004556444 204146843 /nfs/dbraw/zinc/14/68/43/204146843.db2.gz DMTWDZFBGCKDMW-QGZVFWFLSA-N 0 1 357.479 3.954 50 0 FHAAMN O=C([C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1)N1CCCC1 ZINC000005473102 204210868 /nfs/dbraw/zinc/21/08/68/204210868.db2.gz KWALRTLLJAKCJX-OAHLLOKOSA-N 0 1 370.503 3.989 50 0 FHAAMN CCN1CCC[C@@H]1CNC(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004885935 204172724 /nfs/dbraw/zinc/17/27/24/204172724.db2.gz XMCCBLGPGNRIMO-MRXNPFEDSA-N 0 1 353.491 3.972 50 0 FHAAMN CCOc1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000005127000 204192900 /nfs/dbraw/zinc/19/29/00/204192900.db2.gz QJYIXNYGNPXTBQ-UHFFFAOYSA-N 0 1 356.241 3.649 50 0 FHAAMN COc1ccc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)c(OC)c1 ZINC000005690897 204220619 /nfs/dbraw/zinc/22/06/19/204220619.db2.gz 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ZINC000007738667 204305248 /nfs/dbraw/zinc/30/52/48/204305248.db2.gz PWICCCMHLLONRX-FQEVSTJZSA-N 0 1 363.417 3.752 50 0 FHAAMN CCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1cccc(O)c1 ZINC000007738666 204305734 /nfs/dbraw/zinc/30/57/34/204305734.db2.gz PWICCCMHLLONRX-HXUWFJFHSA-N 0 1 363.417 3.752 50 0 FHAAMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000008117093 204318177 /nfs/dbraw/zinc/31/81/77/204318177.db2.gz WAQGIEDUBUUROP-UHFFFAOYSA-N 0 1 356.813 3.759 50 0 FHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000008483973 204332281 /nfs/dbraw/zinc/33/22/81/204332281.db2.gz VLGQTOULGBMXGJ-UHFFFAOYSA-N 0 1 356.426 3.904 50 0 FHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCC(C)CC3)n2)cc1 ZINC000008757216 204345073 /nfs/dbraw/zinc/34/50/73/204345073.db2.gz GRPRHQIIJQFMGB-CQSZACIVSA-N 0 1 358.511 3.773 50 0 FHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000008869946 204347738 /nfs/dbraw/zinc/34/77/38/204347738.db2.gz PQIWCGNOOOQFKI-LJQANCHMSA-N 0 1 358.869 3.916 50 0 FHAAMN O=c1nc(SCc2ccccc2F)[nH]c2c(-c3ccc(F)cc3)cnn21 ZINC000009106879 204354006 /nfs/dbraw/zinc/35/40/06/204354006.db2.gz OZFNZNRVJTUBLN-UHFFFAOYSA-N 0 1 370.384 3.655 50 0 FHAAMN COc1ccc2nc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)[nH]c2c1 ZINC000008719863 204340963 /nfs/dbraw/zinc/34/09/63/204340963.db2.gz HYPCXBDBFXWAAR-SNVBAGLBSA-N 0 1 352.419 3.661 50 0 FHAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cccc(C(C)=O)c1 ZINC000009728427 204380572 /nfs/dbraw/zinc/38/05/72/204380572.db2.gz RSDNWRLICAMUKY-UHFFFAOYSA-N 0 1 361.401 3.639 50 0 FHAAMN CC(C)[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000009749427 204382076 /nfs/dbraw/zinc/38/20/76/204382076.db2.gz AZKSOJMXLNKRQD-IBGZPJMESA-N 0 1 359.832 3.974 50 0 FHAAMN O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1=O ZINC000010090493 204389784 /nfs/dbraw/zinc/38/97/84/204389784.db2.gz QSJBYPKUGZIJTE-IBGZPJMESA-N 0 1 363.461 3.589 50 0 FHAAMN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cccnc2)CC1 ZINC000012305290 204448997 /nfs/dbraw/zinc/44/89/97/204448997.db2.gz 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/nfs/dbraw/zinc/09/00/72/205090072.db2.gz OKGDXRYSUIFVEG-INIZCTEOSA-N 0 1 361.898 3.591 50 0 FHAAMN C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccc(F)cc1F ZINC000047049194 205140917 /nfs/dbraw/zinc/14/09/17/205140917.db2.gz PTNBNLRWPQLENX-MRVPVSSYSA-N 0 1 361.373 3.767 50 0 FHAAMN COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000047060332 205142120 /nfs/dbraw/zinc/14/21/20/205142120.db2.gz ARYXOHYPACGPNA-UHFFFAOYSA-N 0 1 369.446 3.587 50 0 FHAAMN COc1ccc2c(c1)[nH]cc(C(=O)N(C)Cc1c(F)cccc1Cl)c2=O ZINC000048272470 205155395 /nfs/dbraw/zinc/15/53/95/205155395.db2.gz WYXRRKDKMWNEDM-UHFFFAOYSA-N 0 1 374.799 3.601 50 0 FHAAMN CN1CCC[C@H](NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000052588689 205185601 /nfs/dbraw/zinc/18/56/01/205185601.db2.gz OJLHVKSRFMJPSC-ZDUSSCGKSA-N 0 1 356.297 3.762 50 0 FHAAMN Fc1cccc(N[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000055243157 205211848 /nfs/dbraw/zinc/21/18/48/205211848.db2.gz ZRMYVGCTFKWYIL-KRWDZBQOSA-N 0 1 360.502 3.959 50 0 FHAAMN CCOc1cc(Cl)c(CN(C)Cc2n[nH]c3c2CCCC3)cc1OC ZINC000055270558 205213253 /nfs/dbraw/zinc/21/32/53/205213253.db2.gz YOQQITKRLVWFEN-UHFFFAOYSA-N 0 1 363.889 3.981 50 0 FHAAMN CCOc1ccccc1CN(CCn1c2ccccc2oc1=O)C1CC1 ZINC000055325532 205214255 /nfs/dbraw/zinc/21/42/55/205214255.db2.gz SZQHXRBFKIUVAF-UHFFFAOYSA-N 0 1 352.434 3.658 50 0 FHAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)[nH]n2)c(OC)c1 ZINC000057412829 205238093 /nfs/dbraw/zinc/23/80/93/205238093.db2.gz KSYWPZPUOZJOJB-UHFFFAOYSA-N 0 1 351.406 3.963 50 0 FHAAMN CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000057412877 205239157 /nfs/dbraw/zinc/23/91/57/205239157.db2.gz TXTIDMLGCITRGJ-UHFFFAOYSA-N 0 1 367.405 3.745 50 0 FHAAMN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccc2cccnc2n1 ZINC000055401301 205217850 /nfs/dbraw/zinc/21/78/50/205217850.db2.gz DNDDNIFVKJHCBQ-UHFFFAOYSA-N 0 1 359.433 3.519 50 0 FHAAMN COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000058163992 205252610 /nfs/dbraw/zinc/25/26/10/205252610.db2.gz OEAGEIRCDNKOPB-GFCCVEGCSA-N 0 1 350.365 3.586 50 0 FHAAMN Cc1cccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000058162569 205253129 /nfs/dbraw/zinc/25/31/29/205253129.db2.gz HMYGFGGGIFOFQC-UHFFFAOYSA-N 0 1 360.460 3.831 50 0 FHAAMN O[C@@H](CNCc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000058161359 205253169 /nfs/dbraw/zinc/25/31/69/205253169.db2.gz JWHHFNTYLMWINJ-HNNXBMFYSA-N 0 1 352.431 3.973 50 0 FHAAMN O=C(CCC(=O)c1ccccc1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058197198 205258282 /nfs/dbraw/zinc/25/82/82/205258282.db2.gz ZEGUEDUTVQLISN-KRWDZBQOSA-N 0 1 370.518 3.739 50 0 FHAAMN CC(C)CN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)CC(C)C ZINC000059421178 205281755 /nfs/dbraw/zinc/28/17/55/205281755.db2.gz OCFYRVIOLVURJY-UHFFFAOYSA-N 0 1 355.408 3.795 50 0 FHAAMN COc1ccccc1C(=O)[C@@H]1CCCN(Cc2cccc3nccnc23)C1 ZINC000059955753 205282925 /nfs/dbraw/zinc/28/29/25/205282925.db2.gz LKQGIBLFOHNGLR-QGZVFWFLSA-N 0 1 361.445 3.733 50 0 FHAAMN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNC[C@@H](C)O ZINC000061011947 205285039 /nfs/dbraw/zinc/28/50/39/205285039.db2.gz 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205311079 /nfs/dbraw/zinc/31/10/79/205311079.db2.gz ITDYFUQUYNXFFQ-UHFFFAOYSA-N 0 1 368.868 3.638 50 0 FHAAMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000064969402 205311118 /nfs/dbraw/zinc/31/11/18/205311118.db2.gz ADJSRJFFOUJWLF-UHFFFAOYSA-N 0 1 361.232 3.751 50 0 FHAAMN CCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(C)cc2F)c1 ZINC000065112442 205318589 /nfs/dbraw/zinc/31/85/89/205318589.db2.gz GNUKUUBFKABTGZ-UHFFFAOYSA-N 0 1 365.455 3.880 50 0 FHAAMN CCn1nccc1-c1csc(S(=O)(=O)Nc2cc(F)ccc2F)c1 ZINC000065112393 205318688 /nfs/dbraw/zinc/31/86/88/205318688.db2.gz IKBKERWBYRDCHT-UHFFFAOYSA-N 0 1 369.418 3.711 50 0 FHAAMN Cc1ccc(Cl)c(OCCN2CCC([C@@H](O)c3cccnc3)CC2)c1 ZINC000065456790 205351810 /nfs/dbraw/zinc/35/18/10/205351810.db2.gz JLBNXAZBXVYERE-HXUWFJFHSA-N 0 1 360.885 3.868 50 0 FHAAMN CN1CCN(c2ccc(NC(=O)CCSc3ccccc3)cc2)CC1 ZINC000065362690 205337806 /nfs/dbraw/zinc/33/78/06/205337806.db2.gz WWINVFHTGGUSBV-UHFFFAOYSA-N 0 1 355.507 3.559 50 0 FHAAMN 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/nfs/dbraw/zinc/82/84/40/570828440.db2.gz TUGNOTPIJALVTH-ZDUSSCGKSA-N 0 1 356.451 3.651 50 0 FHAAMN COc1ccc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1F ZINC000015071002 570831622 /nfs/dbraw/zinc/83/16/22/570831622.db2.gz JXGIUARPFFHHOO-SFHVURJKSA-N 0 1 364.424 3.854 50 0 FHAAMN Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)N2CCCCC2)o1 ZINC000015860183 570846321 /nfs/dbraw/zinc/84/63/21/570846321.db2.gz MXVHZLGCVARROQ-LJQANCHMSA-N 0 1 356.466 3.619 50 0 FHAAMN CCCCOC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000018115831 570875356 /nfs/dbraw/zinc/87/53/56/570875356.db2.gz ZXGCNQONCZWEOM-UHFFFAOYSA-N 0 1 368.385 3.888 50 0 FHAAMN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000018180035 570876272 /nfs/dbraw/zinc/87/62/72/570876272.db2.gz KZHODMYQLLHCIN-BXUZGUMPSA-N 0 1 364.902 3.912 50 0 FHAAMN Cc1[nH]ncc1CNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000046976462 570877602 /nfs/dbraw/zinc/87/76/02/570877602.db2.gz HBAAVKWVLGQIHH-UHFFFAOYSA-N 0 1 359.449 3.948 50 0 FHAAMN CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000012062768 570889057 /nfs/dbraw/zinc/88/90/57/570889057.db2.gz AXUCLOBBWBGBDC-OAQYLSRUSA-N 0 1 368.477 3.661 50 0 FHAAMN CCOc1cc2c(cc1CN1CCC(c3ccnn3C)CC1)O[C@H](C)C2 ZINC000195513240 570892705 /nfs/dbraw/zinc/89/27/05/570892705.db2.gz GGBYECFLSIGPRC-OAHLLOKOSA-N 0 1 355.482 3.522 50 0 FHAAMN CN1CCN(c2ccc(NC(=O)c3cccs3)c(C(F)(F)F)c2)CC1 ZINC000044796638 570899271 /nfs/dbraw/zinc/89/92/71/570899271.db2.gz ZLCFPIJBZJHFTB-UHFFFAOYSA-N 0 1 369.412 3.771 50 0 FHAAMN Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(C2CCCC2)CN3)c1C ZINC000019939117 570907093 /nfs/dbraw/zinc/90/70/93/570907093.db2.gz BAIFGKXJFKCYFV-UHFFFAOYSA-N 0 1 356.495 3.640 50 0 FHAAMN C[C@@H]1CN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000020507294 570919151 /nfs/dbraw/zinc/91/91/51/570919151.db2.gz BHNRENOVHLLCMZ-GHMZBOCLSA-N 0 1 364.795 3.797 50 0 FHAAMN FC(F)(F)Oc1cccc(-c2n[nH]c3c2CN(C2CCOCC2)CC3)c1 ZINC000020864871 570926254 /nfs/dbraw/zinc/92/62/54/570926254.db2.gz YOJQEGDBFVHCBK-UHFFFAOYSA-N 0 1 367.371 3.512 50 0 FHAAMN COc1cc(Br)cc(CNCc2ccc(F)cc2)c1OC ZINC000020933816 570927366 /nfs/dbraw/zinc/92/73/66/570927366.db2.gz RSHTWMWOQDPRAK-UHFFFAOYSA-N 0 1 354.219 3.895 50 0 FHAAMN CO[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000072048887 570930310 /nfs/dbraw/zinc/93/03/10/570930310.db2.gz MHIRWXNEVKPKMP-LJQANCHMSA-N 0 1 356.491 3.562 50 0 FHAAMN CC(C)N(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000022134709 570940365 /nfs/dbraw/zinc/94/03/65/570940365.db2.gz MEEOXVVIWNGAJZ-UHFFFAOYSA-N 0 1 365.477 3.663 50 0 FHAAMN COc1ccc(C(C)=O)cc1CN1CCCN(Cc2ccc(C)cc2)CC1 ZINC000022995338 570954837 /nfs/dbraw/zinc/95/48/37/570954837.db2.gz JFGKMFFNDUQMES-UHFFFAOYSA-N 0 1 366.505 3.914 50 0 FHAAMN Cc1nn(C)c(C)c1-c1ccnc(N[C@@H](C)c2nc3ccc(C)cc3[nH]2)n1 ZINC000023159363 570957925 /nfs/dbraw/zinc/95/79/25/570957925.db2.gz NNJXFFKVIXATHW-ZDUSSCGKSA-N 0 1 361.453 3.852 50 0 FHAAMN COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000023243436 570961069 /nfs/dbraw/zinc/96/10/69/570961069.db2.gz WCNGLYKQWKVZKW-KRWDZBQOSA-N 0 1 354.475 3.943 50 0 FHAAMN CCCn1cc(CN2CCc3n[nH]c(CCc4ccccc4)c3C2)c(C)n1 ZINC000023310971 570961387 /nfs/dbraw/zinc/96/13/87/570961387.db2.gz QFJNGVSTMZPZCE-UHFFFAOYSA-N 0 1 363.509 3.668 50 0 FHAAMN COc1ccc(CNC(=O)c2cccc(Nc3ccncc3)c2)cc1OC ZINC000072283987 571039369 /nfs/dbraw/zinc/03/93/69/571039369.db2.gz MPHAMHRGUVTFED-UHFFFAOYSA-N 0 1 363.417 3.772 50 0 FHAAMN C[C@@](O)(COc1ccccc1)c1ccc2c(c1)CN(C1CCC1)CCO2 ZINC000015067272 571041514 /nfs/dbraw/zinc/04/15/14/571041514.db2.gz SWIOUJHPPCIQAY-JOCHJYFZSA-N 0 1 353.462 3.720 50 0 FHAAMN C[C@@H]1C[C@@H](C)CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000030921340 571052742 /nfs/dbraw/zinc/05/27/42/571052742.db2.gz HNLJQNODBFXMSU-BFYDXBDKSA-N 0 1 355.438 3.528 50 0 FHAAMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000012736615 571059713 /nfs/dbraw/zinc/05/97/13/571059713.db2.gz XUMNURLVGZHRMV-IBGZPJMESA-N 0 1 351.402 3.844 50 0 FHAAMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000012736615 571059715 /nfs/dbraw/zinc/05/97/15/571059715.db2.gz XUMNURLVGZHRMV-IBGZPJMESA-N 0 1 351.402 3.844 50 0 FHAAMN COc1ccc(CN2CCCC[C@H]2C[C@H](C)O)c(Br)c1OC ZINC000225729151 571059960 /nfs/dbraw/zinc/05/99/60/571059960.db2.gz WIEGUIIHYHHGKS-JSGCOSHPSA-N 0 1 372.303 3.592 50 0 FHAAMN CCn1c2ccccc2c(C(=O)CN(C)Cc2nnc[nH]2)c1-c1ccccc1 ZINC000072308628 571065517 /nfs/dbraw/zinc/06/55/17/571065517.db2.gz OTWMCTYSRDPQFV-UHFFFAOYSA-N 0 1 373.460 3.761 50 0 FHAAMN CCOC(=O)CC[C@@H](C)Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000225794197 571066828 /nfs/dbraw/zinc/06/68/28/571066828.db2.gz LVJZFFLILRTZMQ-SNVBAGLBSA-N 0 1 369.874 3.958 50 0 FHAAMN CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000072309363 571067795 /nfs/dbraw/zinc/06/77/95/571067795.db2.gz QZOXIJRMMAKDQX-SFHVURJKSA-N 0 1 373.884 3.721 50 0 FHAAMN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040086594 571073954 /nfs/dbraw/zinc/07/39/54/571073954.db2.gz VHHWKHRAJYXRQP-UHFFFAOYSA-N 0 1 365.393 3.987 50 0 FHAAMN C[C@H](SCc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000040143451 571084883 /nfs/dbraw/zinc/08/48/83/571084883.db2.gz ANSLFBPJQQBUIA-HNAYVOBHSA-N 0 1 360.498 3.867 50 0 FHAAMN CC(C)c1n[nH]c(-c2nn3c(nnc3C(C)C)s2)c1Br ZINC000072401772 571135054 /nfs/dbraw/zinc/13/50/54/571135054.db2.gz QLKDESPSBMWGJW-UHFFFAOYSA-N 0 1 355.265 3.585 50 0 FHAAMN CSC[C@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000240551511 571108970 /nfs/dbraw/zinc/10/89/70/571108970.db2.gz GUGYAOFROGZCCM-LBPRGKRZSA-N 0 1 372.328 3.795 50 0 FHAAMN Cc1csc2nc(CSc3nc4ccc(Cl)cc4[nH]3)cc(=O)n12 ZINC000009484372 571110919 /nfs/dbraw/zinc/11/09/19/571110919.db2.gz DOOOOUPYHBISBO-UHFFFAOYSA-N 0 1 362.867 3.886 50 0 FHAAMN Nc1cc2cn[nH]c2c(C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000085391848 571112374 /nfs/dbraw/zinc/11/23/74/571112374.db2.gz KVUYHTFPGVZLTI-UHFFFAOYSA-N 0 1 365.618 3.813 50 0 FHAAMN Fc1ccc(N2CCCN(Cc3cc(-c4cccnc4)no3)CC2)cc1 ZINC000244584350 571113612 /nfs/dbraw/zinc/11/36/12/571113612.db2.gz CXPVOPLYZLVEGM-UHFFFAOYSA-N 0 1 352.413 3.588 50 0 FHAAMN Cc1ncsc1CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000244795594 571117404 /nfs/dbraw/zinc/11/74/04/571117404.db2.gz RJKODXBNQPGJCW-SFHVURJKSA-N 0 1 357.523 3.555 50 0 FHAAMN Cc1ccnc(NC(=O)[C@H](C(C)C)n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000009834554 571119687 /nfs/dbraw/zinc/11/96/87/571119687.db2.gz MDBWVBOREZRXFD-INIZCTEOSA-N 0 1 368.462 3.598 50 0 FHAAMN CC[C@@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)Nc1cc(C)on1 ZINC000009885157 571120557 /nfs/dbraw/zinc/12/05/57/571120557.db2.gz RMPBFJKTNKWVRF-CYBMUJFWSA-N 0 1 357.439 3.586 50 0 FHAAMN COCCN1C(=O)c2n[nH]c(-c3cccs3)c2[C@@H]1c1ccc(Cl)cc1 ZINC000035170138 571120971 /nfs/dbraw/zinc/12/09/71/571120971.db2.gz PAUSFWVOUUAVNI-KRWDZBQOSA-N 0 1 373.865 3.983 50 0 FHAAMN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCCN1CCCC1 ZINC000071326661 571121753 /nfs/dbraw/zinc/12/17/53/571121753.db2.gz KIWYLMCGLOEPIW-UHFFFAOYSA-N 0 1 358.511 3.638 50 0 FHAAMN CCCN(C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2CC)C1)C(C)C ZINC000247964268 571126554 /nfs/dbraw/zinc/12/65/54/571126554.db2.gz AUNRYUXFACSKMV-SFHVURJKSA-N 0 1 370.541 3.915 50 0 FHAAMN CCCCN(C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C)C1)C(C)C ZINC000247961210 571126622 /nfs/dbraw/zinc/12/66/22/571126622.db2.gz DVZZEAQCQMHYAE-SFHVURJKSA-N 0 1 370.541 3.822 50 0 FHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1 ZINC000248025889 571127379 /nfs/dbraw/zinc/12/73/79/571127379.db2.gz WERKZZIBNIBLKE-QGZVFWFLSA-N 0 1 356.514 3.698 50 0 FHAAMN CCCCN(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2CC)C1 ZINC000248121827 571127916 /nfs/dbraw/zinc/12/79/16/571127916.db2.gz NFPQMROPKGGTQV-KRWDZBQOSA-N 0 1 356.514 3.527 50 0 FHAAMN CN1CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000012853184 571129151 /nfs/dbraw/zinc/12/91/51/571129151.db2.gz XJLPHIXOPVJPAH-UHFFFAOYSA-N 0 1 356.520 3.660 50 0 FHAAMN O=S(=O)(c1cccc(F)c1)c1cnc2cc(Cl)c(F)cc2c1O ZINC000015829513 571130263 /nfs/dbraw/zinc/13/02/63/571130263.db2.gz VFOMYEJISJVFIY-UHFFFAOYSA-N 0 1 355.749 3.705 50 0 FHAAMN O=c1c2cc(F)c(Cl)cc2[nH]cc1S(=O)(=O)c1cccc(F)c1 ZINC000015829513 571130271 /nfs/dbraw/zinc/13/02/71/571130271.db2.gz VFOMYEJISJVFIY-UHFFFAOYSA-N 0 1 355.749 3.705 50 0 FHAAMN O=C(c1cc(=O)c2cccc(F)c2[nH]1)N(CC1CCC1)C[C@H]1CCCO1 ZINC000253537045 571137694 /nfs/dbraw/zinc/13/76/94/571137694.db2.gz VENAONJUTGHRHD-CQSZACIVSA-N 0 1 358.413 3.501 50 0 FHAAMN CC[C@H](c1cccnc1)N(C)Cc1cccc(C(=O)Nc2cnn(C)c2)c1 ZINC000071278666 571160753 /nfs/dbraw/zinc/16/07/53/571160753.db2.gz WHQPLJXNFMCRQQ-HXUWFJFHSA-N 0 1 363.465 3.651 50 0 FHAAMN Cc1ccc2nc([C@@H](Nc3ccc(-c4nccn4C)nn3)C(C)C)[nH]c2c1 ZINC000071405658 571161363 /nfs/dbraw/zinc/16/13/63/571161363.db2.gz XKVZHAJVGRSAIN-SFHVURJKSA-N 0 1 361.453 3.871 50 0 FHAAMN CC(C)[C@@H]1CN(C(=O)c2ccc(F)cn2)CCCN1Cc1ccc(F)cc1 ZINC000071613823 571163018 /nfs/dbraw/zinc/16/30/18/571163018.db2.gz XWKHWTKVRMJWBM-FQEVSTJZSA-N 0 1 373.447 3.733 50 0 FHAAMN CC(C)[C@H]1CN(CCC(F)(F)F)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763058 571165833 /nfs/dbraw/zinc/16/58/33/571165833.db2.gz RKWHSLDHLXZRFR-MRXNPFEDSA-N 0 1 360.395 3.837 50 0 FHAAMN COc1ccc(F)c(-c2nc(CN3CCC[C@H](C(C)(C)O)C3)c(C)o2)c1 ZINC000071763566 571165866 /nfs/dbraw/zinc/16/58/66/571165866.db2.gz KYLPRSKUOCKDFE-AWEZNQCLSA-N 0 1 362.445 3.781 50 0 FHAAMN Fc1ccc2nc([C@@H]3CCCN3Cc3nc(-c4ccco4)no3)[nH]c2c1 ZINC000072128854 571170718 /nfs/dbraw/zinc/17/07/18/571170718.db2.gz WKGACKGDFGNQGU-AWEZNQCLSA-N 0 1 353.357 3.682 50 0 FHAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccc(F)cc1 ZINC000012533171 571175493 /nfs/dbraw/zinc/17/54/93/571175493.db2.gz WXXBQSDPAMPVQE-UHFFFAOYSA-N 0 1 363.845 3.806 50 0 FHAAMN Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](OCc2ccccn2)C1 ZINC000072167783 571176993 /nfs/dbraw/zinc/17/69/93/571176993.db2.gz XREMSWSXBNDOQQ-JOCHJYFZSA-N 0 1 362.477 3.757 50 0 FHAAMN OC[C@@H]1CCCN(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000229706020 571178113 /nfs/dbraw/zinc/17/81/13/571178113.db2.gz WYMNJKCOXKTMRK-VFNWGFHPSA-N 0 1 357.425 3.638 50 0 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ZINC000584898916 571315913 /nfs/dbraw/zinc/31/59/13/571315913.db2.gz FZPHMERYESHZOG-INIZCTEOSA-N 0 1 355.467 3.765 50 0 FHAAMN Oc1cccc(CN(Cc2cnc3ccccc3n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000585094508 571320457 /nfs/dbraw/zinc/32/04/57/571320457.db2.gz VFXWMMPACAXZLD-WGSAOQKQSA-N 0 1 363.461 3.641 50 0 FHAAMN CCc1ccc([C@](O)(CC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440948 571329468 /nfs/dbraw/zinc/32/94/68/571329468.db2.gz YLDGIIMMCYOGNH-XZOQPEGZSA-N 0 1 353.506 3.963 50 0 FHAAMN CCc1c(C)sc2c1CCN(CC(=O)NC1CC1)[C@H]2c1ccccc1 ZINC000021045777 571332318 /nfs/dbraw/zinc/33/23/18/571332318.db2.gz BMNZMHVDCVTSEO-FQEVSTJZSA-N 0 1 354.519 3.845 50 0 FHAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2C)ccc1O ZINC000021523426 571334907 /nfs/dbraw/zinc/33/49/07/571334907.db2.gz SPSJCFAQGJHCGB-FQEVSTJZSA-N 0 1 363.417 3.664 50 0 FHAAMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccs2)cc1F ZINC000056044464 571339221 /nfs/dbraw/zinc/33/92/21/571339221.db2.gz UHFUFZNKKLWJPK-HNNXBMFYSA-N 0 1 362.451 3.520 50 0 FHAAMN COc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1 ZINC000002626105 571339483 /nfs/dbraw/zinc/33/94/83/571339483.db2.gz OITSGMYNMZSOTE-UHFFFAOYSA-N 0 1 362.234 3.811 50 0 FHAAMN CCc1ccc(OCn2cc(NS(=O)(=O)c3ccc(C)cc3)cn2)cc1 ZINC000002804410 571341242 /nfs/dbraw/zinc/34/12/42/571341242.db2.gz YZYGRYTXFXFNAT-UHFFFAOYSA-N 0 1 371.462 3.591 50 0 FHAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)[nH]n2)c(OC)c1 ZINC000057412958 571343298 /nfs/dbraw/zinc/34/32/98/571343298.db2.gz FVMSQUMIZUZZNF-UHFFFAOYSA-N 0 1 359.332 3.624 50 0 FHAAMN O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cccc2c1CCC2=O ZINC000670434399 571346356 /nfs/dbraw/zinc/34/63/56/571346356.db2.gz PHUVRBMFLITEDZ-UHFFFAOYSA-N 0 1 367.836 3.708 50 0 FHAAMN Cc1cc(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000003328756 571347497 /nfs/dbraw/zinc/34/74/97/571347497.db2.gz WELLYVBRSXVJIV-UHFFFAOYSA-N 0 1 372.534 3.555 50 0 FHAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000003332191 571347579 /nfs/dbraw/zinc/34/75/79/571347579.db2.gz 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928039332 /nfs/dbraw/zinc/03/93/32/928039332.db2.gz ZXMUALADSNTYGV-MRXNPFEDSA-N 0 1 362.477 3.544 50 0 FHAAMN OC[C@@]1(Cc2ccccc2F)CCCN(Cc2ccc3nsnc3c2)C1 ZINC000015061549 928517483 /nfs/dbraw/zinc/51/74/83/928517483.db2.gz WQHWPHBDGVKKQL-HXUWFJFHSA-N 0 1 371.481 3.648 50 0 FHAAMN Cc1cc(CNC2CCN(c3cccc(-c4cscn4)c3)CC2)no1 ZINC000023380101 940303589 /nfs/dbraw/zinc/30/35/89/940303589.db2.gz WWSMJNAFYPXSTD-UHFFFAOYSA-N 0 1 354.479 3.865 50 0 FHAAMN Fc1cnccc1CN1CCC[C@H](CCc2nc(-c3cccnc3)no2)C1 ZINC000257174890 942454269 /nfs/dbraw/zinc/45/42/69/942454269.db2.gz LRNDTLPPWJMEQN-OAHLLOKOSA-N 0 1 367.428 3.511 50 0 FHAAMN O[C@]1(c2ccccn2)CCOC2(CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000257174532 942462404 /nfs/dbraw/zinc/46/24/04/942462404.db2.gz HXOHSUBWQVBKAQ-OAQYLSRUSA-N 0 1 372.896 3.768 50 0 FHAAMN Cc1cc(NC(=O)[C@H](C)Sc2nc(C=Cc3ccccc3C)n[nH]2)no1 ZINC000014196597 942790887 /nfs/dbraw/zinc/79/08/87/942790887.db2.gz XEUHHAQAGDNJIT-XEHSLEBBSA-N 0 1 369.450 3.699 50 0 FHAAMN COc1ccnc(C[S@@](=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C ZINC000005116090 948413877 /nfs/dbraw/zinc/41/38/77/948413877.db2.gz OWWKQFJLNQHYQS-VWLOTQADSA-N 0 1 369.368 3.602 50 0 FHAAMN CCO[C@@H](c1ccc(Br)cc1)[C@H](NC)C(=O)c1ccccc1 ZINC000061868581 209866494 /nfs/dbraw/zinc/86/64/94/209866494.db2.gz HXBYRMFPYAGPJO-AEFFLSMTSA-N 0 1 362.267 3.998 50 0 FHAAMN O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Br)s1 ZINC000001127164 219375883 /nfs/dbraw/zinc/37/58/83/219375883.db2.gz CGZDIMNBFUAICX-UHFFFAOYSA-N 0 1 354.197 3.590 50 0 FHAAMN C[C@]1(c2ccccc2)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)CCO1 ZINC000128919832 209368916 /nfs/dbraw/zinc/36/89/16/209368916.db2.gz GEZFQVZPMNYVMX-OAQYLSRUSA-N 0 1 353.466 3.845 50 0 FHAAMN CN(C)[C@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccs1 ZINC000044103188 209313776 /nfs/dbraw/zinc/31/37/76/209313776.db2.gz HKOJPQTYSUIAEO-MRXNPFEDSA-N 0 1 372.494 3.521 50 0 FHAAMN CC[C@@H](C)C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104320286 209260584 /nfs/dbraw/zinc/26/05/84/209260584.db2.gz 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ZINC000097505686 209184402 /nfs/dbraw/zinc/18/44/02/209184402.db2.gz GVWVNGQUVRZHHJ-UHFFFAOYSA-N 0 1 363.918 3.722 50 0 FHAAMN COc1ccc(-c2cc(C(=O)N3CC[C@@H]3c3cccc(OC)c3)n[nH]2)cc1 ZINC000097436795 209181092 /nfs/dbraw/zinc/18/10/92/209181092.db2.gz YLJROUHNTNDDBF-HXUWFJFHSA-N 0 1 363.417 3.681 50 0 FHAAMN O=C(NCCCn1ccc2ccccc21)c1ccc(CN2CCCC2)o1 ZINC000097402342 209179516 /nfs/dbraw/zinc/17/95/16/209179516.db2.gz FNVKZWDKXSLBKF-UHFFFAOYSA-N 0 1 351.450 3.650 50 0 FHAAMN C[C@H](Cc1cnccn1)N(C)Cc1cnc(SCc2ccccc2)nc1 ZINC000097413267 209179433 /nfs/dbraw/zinc/17/94/33/209179433.db2.gz LMSMSWKJNZPDFM-MRXNPFEDSA-N 0 1 365.506 3.622 50 0 FHAAMN COCc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCC2)c1 ZINC000097272485 209177568 /nfs/dbraw/zinc/17/75/68/209177568.db2.gz JPDKFFDPETZSGC-OAQYLSRUSA-N 0 1 370.468 3.929 50 0 FHAAMN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)o2)cc1F ZINC000097294672 209176837 /nfs/dbraw/zinc/17/68/37/209176837.db2.gz CMBQLZWSVACZFT-AWEZNQCLSA-N 0 1 360.429 3.904 50 0 FHAAMN Cc1ccccc1CNC(=O)CSc1nc(C=Cc2cccs2)n[nH]1 ZINC000096940139 209163780 /nfs/dbraw/zinc/16/37/80/209163780.db2.gz SEUGGTKJUJQVLY-HJWRWDBZSA-N 0 1 370.503 3.754 50 0 FHAAMN Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cccc(C(C)C)c2)n1 ZINC000096379769 209151680 /nfs/dbraw/zinc/15/16/80/209151680.db2.gz NMNSYWKHSPLQJU-UHFFFAOYSA-N 0 1 374.466 3.914 50 0 FHAAMN CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(C)cc2C)n1 ZINC000096379790 209151628 /nfs/dbraw/zinc/15/16/28/209151628.db2.gz ZEGCFNAFAIUGOB-UHFFFAOYSA-N 0 1 374.466 3.662 50 0 FHAAMN Cc1cccc(-c2cc3n(n2)CCCN(C(=O)c2[nH]nc4ccccc42)C3)c1 ZINC000096386764 209151171 /nfs/dbraw/zinc/15/11/71/209151171.db2.gz WOYDCILECJQPGX-UHFFFAOYSA-N 0 1 371.444 3.781 50 0 FHAAMN CCCCc1ncc(CN2CCc3nc(-c4ccc(OC)cc4)[nH]c3C2)[nH]1 ZINC000096150212 209124633 /nfs/dbraw/zinc/12/46/33/209124633.db2.gz BDMRRWPRPTWYHV-UHFFFAOYSA-N 0 1 365.481 3.709 50 0 FHAAMN CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c(N)ccnc32)cc1 ZINC000096147828 209123011 /nfs/dbraw/zinc/12/30/11/209123011.db2.gz 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CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000012062769 570889028 /nfs/dbraw/zinc/88/90/28/570889028.db2.gz AXUCLOBBWBGBDC-NRFANRHFSA-N 0 1 368.477 3.661 50 0 FHAAMN CC(C)[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 ZINC000106920729 570894226 /nfs/dbraw/zinc/89/42/26/570894226.db2.gz KKEYQULHXLGGRT-VBQJREDUSA-N 0 1 354.947 3.979 50 0 FHAAMN CCCN1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000019690822 570898385 /nfs/dbraw/zinc/89/83/85/570898385.db2.gz PTDXTSJDRKXOKU-UHFFFAOYSA-N 0 1 357.504 3.878 50 0 FHAAMN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C(=O)OC)c1)NCC2 ZINC000019848568 570904814 /nfs/dbraw/zinc/90/48/14/570904814.db2.gz VWFUWNNXMVYIRQ-FQEVSTJZSA-N 0 1 355.434 3.506 50 0 FHAAMN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C(=O)OC)c1)NCC2 ZINC000019848569 570905005 /nfs/dbraw/zinc/90/50/05/570905005.db2.gz VWFUWNNXMVYIRQ-HXUWFJFHSA-N 0 1 355.434 3.506 50 0 FHAAMN C[C@H]1CN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000020507298 570919144 /nfs/dbraw/zinc/91/91/44/570919144.db2.gz 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570962610 /nfs/dbraw/zinc/96/26/10/570962610.db2.gz KRCBTJFHMJKCMK-UHFFFAOYSA-N 0 1 359.325 3.589 50 0 FHAAMN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000049547761 570963692 /nfs/dbraw/zinc/96/36/92/570963692.db2.gz PVQBVDZAAYECPL-UHFFFAOYSA-N 0 1 365.462 3.827 50 0 FHAAMN COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000024961642 570986858 /nfs/dbraw/zinc/98/68/58/570986858.db2.gz HMETUPYIVVURBQ-UHFFFAOYSA-N 0 1 355.781 3.769 50 0 FHAAMN COc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3ccccc32)cc1OC ZINC000024969858 570987343 /nfs/dbraw/zinc/98/73/43/570987343.db2.gz GRCCQTAMVAULDY-MRXNPFEDSA-N 0 1 351.406 3.557 50 0 FHAAMN CCOc1ccc2nc(SCCn3c4ccccc4oc3=O)[nH]c2c1 ZINC000026015244 571001970 /nfs/dbraw/zinc/00/19/70/571001970.db2.gz ZAGLBVHSRXHNIL-UHFFFAOYSA-N 0 1 355.419 3.662 50 0 FHAAMN CCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000028288164 571029136 /nfs/dbraw/zinc/02/91/36/571029136.db2.gz PGAXLKDMKJLVEC-OAQYLSRUSA-N 0 1 368.477 3.661 50 0 FHAAMN COc1cc(CNCc2csc(Br)c2)cc(OC)c1OC ZINC000030545891 571064504 /nfs/dbraw/zinc/06/45/04/571064504.db2.gz ZLMPNQOYCOYOMM-UHFFFAOYSA-N 0 1 372.284 3.826 50 0 FHAAMN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)[nH]n2)s1 ZINC000028833030 571035233 /nfs/dbraw/zinc/03/52/33/571035233.db2.gz AWWKIRAIKITMMO-INIZCTEOSA-N 0 1 370.478 3.607 50 0 FHAAMN Cc1cc([C@@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)n[nH]1 ZINC000225439347 571035320 /nfs/dbraw/zinc/03/53/20/571035320.db2.gz KROKCJHMPCJPHQ-GOSISDBHSA-N 0 1 352.482 3.728 50 0 FHAAMN CCCOC(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000029484396 571040310 /nfs/dbraw/zinc/04/03/10/571040310.db2.gz AMDVXFUZDIJTNN-FQEVSTJZSA-N 0 1 366.461 3.811 50 0 FHAAMN CC(=O)N(C)c1nc(CSc2nc(-c3ccc(C)cc3)n[nH]2)cs1 ZINC000052889377 571047120 /nfs/dbraw/zinc/04/71/20/571047120.db2.gz KTZLRHOQRGXGCM-UHFFFAOYSA-N 0 1 359.480 3.512 50 0 FHAAMN CCOc1ccc(OCc2ccc(C(=O)OCCN3CCCCC3)o2)cc1 ZINC000004124697 571049320 /nfs/dbraw/zinc/04/93/20/571049320.db2.gz ZEARTHORBJGULD-UHFFFAOYSA-N 0 1 373.449 3.900 50 0 FHAAMN Cc1c2cccc(C)c2oc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000053083753 571063812 /nfs/dbraw/zinc/06/38/12/571063812.db2.gz XWVJWUSGMXYNJV-UHFFFAOYSA-N 0 1 363.461 3.839 50 0 FHAAMN Cc1[nH]ncc1CCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000072311900 571079478 /nfs/dbraw/zinc/07/94/78/571079478.db2.gz KBXPLJVXBWXEPE-UHFFFAOYSA-N 0 1 352.413 3.645 50 0 FHAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2O)cc1Br ZINC000230515082 571096041 /nfs/dbraw/zinc/09/60/41/571096041.db2.gz SETUKHRHFZLYFG-UHFFFAOYSA-N 0 1 356.241 3.572 50 0 FHAAMN CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1)c1cccs1 ZINC000012778330 571097304 /nfs/dbraw/zinc/09/73/04/571097304.db2.gz ZEUPNZNLRSIGTB-AWEZNQCLSA-N 0 1 354.928 3.913 50 0 FHAAMN Cc1cc([C@H]2CCCN2C(=O)CSc2nc3ccc(C)cc3[nH]2)on1 ZINC000053339910 571112534 /nfs/dbraw/zinc/11/25/34/571112534.db2.gz NTLDVSJXABETRW-OAHLLOKOSA-N 0 1 356.451 3.624 50 0 FHAAMN C[C@H](c1ccc(C(=O)N(C)CCOc2ccccc2)o1)N1CCCCC1 ZINC000055036014 571115212 /nfs/dbraw/zinc/11/52/12/571115212.db2.gz JGLAEEMDTAKXFY-QGZVFWFLSA-N 0 1 356.466 3.978 50 0 FHAAMN CCc1oc(C(=O)N(C)[C@H]2CCOC(C)(C)C2)cc1CN(CC)CC ZINC000055054185 571115756 /nfs/dbraw/zinc/11/57/56/571115756.db2.gz FWHGPLFUAAHPJM-INIZCTEOSA-N 0 1 350.503 3.713 50 0 FHAAMN O=C([O-])COc1ccccc1C[N@@H+]1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055054328 571115796 /nfs/dbraw/zinc/11/57/96/571115796.db2.gz WDDDVQDPXVTFFM-LJQANCHMSA-N 0 1 369.461 3.843 50 0 FHAAMN CCC1=NO[C@@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000244884365 571119357 /nfs/dbraw/zinc/11/93/57/571119357.db2.gz YLDOUDHZELWGQZ-MRXNPFEDSA-N 0 1 356.388 3.544 50 0 FHAAMN Cc1ccc(NC(=O)CCN(C)Cc2cnc3ccccc3n2)cc1F ZINC000244899359 571119733 /nfs/dbraw/zinc/11/97/33/571119733.db2.gz ZIMMNRKPAONGNR-UHFFFAOYSA-N 0 1 352.413 3.538 50 0 FHAAMN COc1ccc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1OC ZINC000071279991 571121117 /nfs/dbraw/zinc/12/11/17/571121117.db2.gz TVJMRHWDNIYSCD-UHFFFAOYSA-N 0 1 374.400 3.894 50 0 FHAAMN O=S(=O)(NC1(c2ccc(Cl)cc2)CCC1)c1c(F)cccc1F ZINC000057993298 571123584 /nfs/dbraw/zinc/12/35/84/571123584.db2.gz UTHQKOBKUBHSST-UHFFFAOYSA-N 0 1 357.809 3.976 50 0 FHAAMN Clc1snnc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000058051832 571124736 /nfs/dbraw/zinc/12/47/36/571124736.db2.gz YYHKWMJQFZNOKC-UHFFFAOYSA-N 0 1 358.898 3.663 50 0 FHAAMN CCCN(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1 ZINC000247999092 571126901 /nfs/dbraw/zinc/12/69/01/571126901.db2.gz NFFAHQOHPZSEDU-KRWDZBQOSA-N 0 1 356.514 3.698 50 0 FHAAMN CCN(CC)[C@@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccco1 ZINC000058193165 571128061 /nfs/dbraw/zinc/12/80/61/571128061.db2.gz KZUGGDHZVNRZIU-SFHVURJKSA-N 0 1 367.449 3.676 50 0 FHAAMN CC(C)(CO)NCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248156587 571128225 /nfs/dbraw/zinc/12/82/25/571128225.db2.gz IXBOGMBSXUSGMF-UHFFFAOYSA-N 0 1 370.884 3.507 50 0 FHAAMN COc1ccc(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1OC(F)F ZINC000058228641 571130059 /nfs/dbraw/zinc/13/00/59/571130059.db2.gz BAJBQBWKBHNZQK-UHFFFAOYSA-N 0 1 374.347 3.642 50 0 FHAAMN Cc1[nH]nc(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1C ZINC000252478219 571131125 /nfs/dbraw/zinc/13/11/25/571131125.db2.gz AFRNMKCTUDPFKI-GOSISDBHSA-N 0 1 351.454 3.589 50 0 FHAAMN COc1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)cc1 ZINC000004542896 571131701 /nfs/dbraw/zinc/13/17/01/571131701.db2.gz LBLDTKUXWPRTDL-UHFFFAOYSA-N 0 1 363.461 3.655 50 0 FHAAMN COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862274 571138415 /nfs/dbraw/zinc/13/84/15/571138415.db2.gz GGPFZAYYUFFMFT-UHFFFAOYSA-N 0 1 368.452 3.933 50 0 FHAAMN COCCN(Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862274 571138417 /nfs/dbraw/zinc/13/84/17/571138417.db2.gz GGPFZAYYUFFMFT-UHFFFAOYSA-N 0 1 368.452 3.933 50 0 FHAAMN COc1ccc(CN(C)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1OC ZINC000015862330 571138817 /nfs/dbraw/zinc/13/88/17/571138817.db2.gz GKSAJEQOXBUYSM-UHFFFAOYSA-N 0 1 366.461 3.794 50 0 FHAAMN Cc1ccc(-c2c(-c3ccccc3)ncn2CCCN2CCOCC2)o1 ZINC000065431310 571143487 /nfs/dbraw/zinc/14/34/87/571143487.db2.gz LQYDGRYMCWIPKL-UHFFFAOYSA-N 0 1 351.450 3.841 50 0 FHAAMN O=C(CSc1nc(-c2ccc(F)cc2)n[nH]1)Nc1ccc(Cl)cc1 ZINC000021943197 571144853 /nfs/dbraw/zinc/14/48/53/571144853.db2.gz HRLHLBKTTFCXFV-UHFFFAOYSA-N 0 1 362.817 3.995 50 0 FHAAMN CCSc1nc(CC(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)cs1 ZINC000067458945 571146653 /nfs/dbraw/zinc/14/66/53/571146653.db2.gz WEOTWEQHLWVFOM-UHFFFAOYSA-N 0 1 360.508 3.641 50 0 FHAAMN Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(=O)c3ccccc3)C2)cc1 ZINC000067587975 571147451 /nfs/dbraw/zinc/14/74/51/571147451.db2.gz GNMGKVSSBHNCRQ-IBGZPJMESA-N 0 1 373.456 3.974 50 0 FHAAMN CCn1ncnc1-c1c(-c2ccccc2)ncn1[C@@H](C)Cc1cc(C)n[nH]1 ZINC000067587083 571147522 /nfs/dbraw/zinc/14/75/22/571147522.db2.gz JJPYWJAJWQTUMW-HNNXBMFYSA-N 0 1 361.453 3.664 50 0 FHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000067688359 571148107 /nfs/dbraw/zinc/14/81/07/571148107.db2.gz JCIRINSTFKWMPM-IBGZPJMESA-N 0 1 367.836 3.944 50 0 FHAAMN Cc1cc(C)n([C@@H]2CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)n1 ZINC000067674231 571148129 /nfs/dbraw/zinc/14/81/29/571148129.db2.gz LMEJLIQOFPWINX-HXUWFJFHSA-N 0 1 372.476 3.657 50 0 FHAAMN O=C(c1cc(COc2cccc(F)c2)n[nH]1)N1CC[C@@H]1c1ccccc1 ZINC000067674085 571148166 /nfs/dbraw/zinc/14/81/66/571148166.db2.gz AKYJGUPWIBGNAV-LJQANCHMSA-N 0 1 351.381 3.715 50 0 FHAAMN Cc1ccc2nc(CN(Cc3ccccn3)C[C@@H]3CCCO3)[nH]c2c1C ZINC000067676318 571148195 /nfs/dbraw/zinc/14/81/95/571148195.db2.gz NTVUJCCNZFNDOI-SFHVURJKSA-N 0 1 350.466 3.756 50 0 FHAAMN Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(-c2ccccc2O)n1 ZINC000067817184 571150053 /nfs/dbraw/zinc/15/00/53/571150053.db2.gz COPCYZLPVMBONX-UHFFFAOYSA-N 0 1 361.449 3.666 50 0 FHAAMN Cc1ccc2[nH]nc(C(=O)N3CCC(c4cc(C(C)C)[nH]n4)CC3)c2c1 ZINC000067856307 571150363 /nfs/dbraw/zinc/15/03/63/571150363.db2.gz MAVHTPHXWGEMFC-UHFFFAOYSA-N 0 1 351.454 3.738 50 0 FHAAMN O=C([O-])c1ccccc1C[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000067868688 571150967 /nfs/dbraw/zinc/15/09/67/571150967.db2.gz AZIXQEMBBNZXEC-UHFFFAOYSA-N 0 1 367.474 3.707 50 0 FHAAMN Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ncccc3O)C2)cc1 ZINC000067968013 571152725 /nfs/dbraw/zinc/15/27/25/571152725.db2.gz QOQVRXPNAYOMPO-MRXNPFEDSA-N 0 1 362.433 3.506 50 0 FHAAMN Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ncccc3O)C2)cc1 ZINC000067968016 571152878 /nfs/dbraw/zinc/15/28/78/571152878.db2.gz QOQVRXPNAYOMPO-INIZCTEOSA-N 0 1 362.433 3.506 50 0 FHAAMN Cc1cccc(-c2cc3nc(C[N@@H+](C)Cc4ccccc4)cc(=O)n3[n-]2)c1 ZINC000033126228 571157211 /nfs/dbraw/zinc/15/72/11/571157211.db2.gz PBVLEFANPVVJSN-UHFFFAOYSA-N 0 1 358.445 3.630 50 0 FHAAMN CCc1nn2c(nccc2-c2c(O)cc(C)oc2=O)c1-c1ccc(F)cc1 ZINC000071385236 571160977 /nfs/dbraw/zinc/16/09/77/571160977.db2.gz MWUMTVUUTKGCTO-UHFFFAOYSA-N 0 1 365.364 3.732 50 0 FHAAMN COc1ccc2cc([C@H]3CN(CCCn4ccnc4)CCO3)ccc2c1 ZINC000071721561 571164022 /nfs/dbraw/zinc/16/40/22/571164022.db2.gz YAFYMOLLAXNPED-OAQYLSRUSA-N 0 1 351.450 3.509 50 0 FHAAMN COc1ccc2cc([C@H]3CN(CCCn4cc(C)cn4)CCO3)ccc2c1 ZINC000071747017 571164315 /nfs/dbraw/zinc/16/43/15/571164315.db2.gz HFZQKNADGSOXCW-JOCHJYFZSA-N 0 1 365.477 3.817 50 0 FHAAMN CC(C)[C@H]1CCCN(Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)C1 ZINC000071767935 571166106 /nfs/dbraw/zinc/16/61/06/571166106.db2.gz IIHVCPQRGSXQIE-AWEZNQCLSA-N 0 1 362.905 3.558 50 0 FHAAMN CC(C)[C@H]1CN(Cc2ccc3ccccc3n2)CCC(=O)N1CC1CC1 ZINC000071770951 571166283 /nfs/dbraw/zinc/16/62/83/571166283.db2.gz HFLLLABCWXIAIA-OAQYLSRUSA-N 0 1 351.494 3.704 50 0 FHAAMN CC(=O)N1[C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)CCN1c1ccccc1 ZINC000137111216 571168178 /nfs/dbraw/zinc/16/81/78/571168178.db2.gz PRENDEQIURVRBL-IBGZPJMESA-N 0 1 362.433 3.601 50 0 FHAAMN Clc1nc(N2CCCC2)sc1CN1CCC[C@H](Cn2ccnc2)C1 ZINC000072130950 571170951 /nfs/dbraw/zinc/17/09/51/571170951.db2.gz GYSYTPRKIQYNNH-AWEZNQCLSA-N 0 1 365.934 3.505 50 0 FHAAMN Fc1cccc(CN2CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)c1 ZINC000072148477 571174151 /nfs/dbraw/zinc/17/41/51/571174151.db2.gz RWNNGSIBKUUAKD-UHFFFAOYSA-N 0 1 356.489 3.599 50 0 FHAAMN 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571288046 /nfs/dbraw/zinc/28/80/46/571288046.db2.gz ZHGMVSUANSYYDI-UHFFFAOYSA-N 0 1 370.468 3.778 50 0 FHAAMN O=C(CN1CCCCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007781753 571288856 /nfs/dbraw/zinc/28/88/56/571288856.db2.gz QUMVRSYTGAFACI-UHFFFAOYSA-N 0 1 351.450 3.753 50 0 FHAAMN CCOc1ccccc1NC(=O)CSc1nc(C=Cc2ccco2)n[nH]1 ZINC000010623442 571321532 /nfs/dbraw/zinc/32/15/32/571321532.db2.gz ZZMMFNKMINKGNZ-MDZDMXLPSA-N 0 1 370.434 3.698 50 0 FHAAMN CCCN(CCC)Cc1cc(C(=O)NCC2(c3ccccc3)CC2)no1 ZINC000079111992 571327054 /nfs/dbraw/zinc/32/70/54/571327054.db2.gz XPNWSSLDLHAVGG-UHFFFAOYSA-N 0 1 355.482 3.758 50 0 FHAAMN COc1cc(C(=O)Nc2ccc3nc(C4CC4)[nH]c3c2)cc(OC)c1OC ZINC000079478923 571327483 /nfs/dbraw/zinc/32/74/83/571327483.db2.gz QWFAYSZUBGLDJK-UHFFFAOYSA-N 0 1 367.405 3.718 50 0 FHAAMN CC1(C)Cc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2C(=O)C1 ZINC000079988513 571328521 /nfs/dbraw/zinc/32/85/21/571328521.db2.gz XDHRKKFCLGVUIC-UHFFFAOYSA-N 0 1 350.827 3.910 50 0 FHAAMN COc1ccc2nc(SC[C@@H]3CN(c4ccccc4)C(=O)O3)[nH]c2c1 ZINC000095960308 571333071 /nfs/dbraw/zinc/33/30/71/571333071.db2.gz PJEHWJPYQPWWFC-AWEZNQCLSA-N 0 1 355.419 3.689 50 0 FHAAMN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225686401 571337823 /nfs/dbraw/zinc/33/78/23/571337823.db2.gz BMHNMPJCQOWJBC-QHCPKHFHSA-N 0 1 371.484 3.750 50 0 FHAAMN COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OC ZINC000057412220 571343236 /nfs/dbraw/zinc/34/32/36/571343236.db2.gz JRMKIYHQGGCDNP-UHFFFAOYSA-N 0 1 357.797 4.000 50 0 FHAAMN C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cnoc1-c1ccccc1 ZINC000670444737 571349993 /nfs/dbraw/zinc/34/99/93/571349993.db2.gz IRSAAEIUISAJJT-MRXNPFEDSA-N 0 1 361.445 3.518 50 0 FHAAMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2cccnc2)nc1Cc1ccccc1 ZINC000007988031 571358158 /nfs/dbraw/zinc/35/81/58/571358158.db2.gz DECNSNFXASBTIB-AWEZNQCLSA-N 0 1 366.490 3.673 50 0 FHAAMN CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289693774 937082327 /nfs/dbraw/zinc/08/23/27/937082327.db2.gz 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947754898 /nfs/dbraw/zinc/75/48/98/947754898.db2.gz BAQHYLVIKSTWEH-PZPSRYQVSA-N 0 1 371.260 3.660 50 0 FHAAMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl ZINC000000752366 210266877 /nfs/dbraw/zinc/26/68/77/210266877.db2.gz UCYUFBFDNRIWAZ-UHFFFAOYSA-N 0 1 362.234 3.811 50 0 FHAAMN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N4CCN(C)CC4)c3c2C1 ZINC000000724047 210265998 /nfs/dbraw/zinc/26/59/98/210265998.db2.gz YULNNBNLXXXJSG-CQSZACIVSA-N 0 1 358.555 3.984 50 0 FHAAMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000000667758 210260008 /nfs/dbraw/zinc/26/00/08/210260008.db2.gz PFFBKYVNULZBHY-UHFFFAOYSA-N 0 1 353.827 3.544 50 0 FHAAMN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000034690425 210248215 /nfs/dbraw/zinc/24/82/15/210248215.db2.gz KMUYYDKGQKKFLS-BLLLJJGKSA-N 0 1 372.494 3.635 50 0 FHAAMN COc1ccc(Br)cc1C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000294287249 210102096 /nfs/dbraw/zinc/10/20/96/210102096.db2.gz UUZYADLRIXJGLQ-UGFHNGPFSA-N 0 1 368.271 3.675 50 0 FHAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Br)cc1F ZINC000250889342 210065305 /nfs/dbraw/zinc/06/53/05/210065305.db2.gz KYWTXQWAHQLNQP-VQISRLSMSA-N 0 1 356.235 3.806 50 0 FHAAMN CCc1oc(C(=O)NCc2ccc3ncccc3c2)cc1CN1CCCC1 ZINC000299780374 210025856 /nfs/dbraw/zinc/02/58/56/210025856.db2.gz CGULKDRXQPQJIA-UHFFFAOYSA-N 0 1 363.461 3.916 50 0 FHAAMN CN(C)Cc1ccc(-c2cccc(C(=O)NCCCc3ccco3)c2)nc1 ZINC000299775370 210021630 /nfs/dbraw/zinc/02/16/30/210021630.db2.gz BOVCGACFGJNMND-UHFFFAOYSA-N 0 1 363.461 3.766 50 0 FHAAMN CCc1oc(C(=O)NC(C)(C)Cc2ccc(O)cc2)cc1CN1CCCC1 ZINC000299769509 210017155 /nfs/dbraw/zinc/01/71/55/210017155.db2.gz SBKYBVBKZLRLNV-UHFFFAOYSA-N 0 1 370.493 3.895 50 0 FHAAMN COC(=O)c1cccc(Nc2cc(C)nc3ccc(C(=O)OC)cc32)c1 ZINC000000949572 219345357 /nfs/dbraw/zinc/34/53/57/219345357.db2.gz LMOAVOICIPMCNU-UHFFFAOYSA-N 0 1 350.374 3.860 50 0 FHAAMN COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000003330262 219501122 /nfs/dbraw/zinc/50/11/22/219501122.db2.gz UTHWGTKMSXZANG-UHFFFAOYSA-N 0 1 361.463 3.996 50 0 FHAAMN O=C(NCc1cc(F)cc(F)c1)C1=CCN(Cc2cccc(F)c2)CC1 ZINC000064818087 212044996 /nfs/dbraw/zinc/04/49/96/212044996.db2.gz URKBCYYCEFSWOX-UHFFFAOYSA-N 0 1 360.379 3.552 50 0 FHAAMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)CC2CCC2)c1Br ZINC000062221167 212030713 /nfs/dbraw/zinc/03/07/13/212030713.db2.gz JTWGUEVLUDGWJD-UHFFFAOYSA-N 0 1 362.271 3.923 50 0 FHAAMN CCCn1cc(CN2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)c(C)n1 ZINC000012712186 220019179 /nfs/dbraw/zinc/01/91/79/220019179.db2.gz MYPHROJFUCQNJH-GOSISDBHSA-N 0 1 355.482 3.705 50 0 FHAAMN O=C(c1cc2ccccc2cc1O)N1CCCN(Cc2ccccc2)CC1 ZINC000012755125 220024706 /nfs/dbraw/zinc/02/47/06/220024706.db2.gz KSFGEOYRLQBSFX-UHFFFAOYSA-N 0 1 360.457 3.894 50 0 FHAAMN CN(C)C(=O)[C@H](Sc1nc(CCC2CCCC2)n[nH]1)c1ccccc1 ZINC000058381551 212008305 /nfs/dbraw/zinc/00/83/05/212008305.db2.gz VIMKKSNUGYHLQF-QGZVFWFLSA-N 0 1 358.511 3.849 50 0 FHAAMN CN(C)C(=O)[C@H](Sc1n[nH]c(CCC2CCCC2)n1)c1ccccc1 ZINC000058381551 212008309 /nfs/dbraw/zinc/00/83/09/212008309.db2.gz VIMKKSNUGYHLQF-QGZVFWFLSA-N 0 1 358.511 3.849 50 0 FHAAMN Cc1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000058248536 212000404 /nfs/dbraw/zinc/00/04/04/212000404.db2.gz HYBMKMCFXWKMSN-UHFFFAOYSA-N 0 1 372.896 3.808 50 0 FHAAMN Cc1ccc(C)c(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000013005944 220051393 /nfs/dbraw/zinc/05/13/93/220051393.db2.gz LJWVBOZBMVEILK-SFHVURJKSA-N 0 1 356.466 3.619 50 0 FHAAMN Cc1cc(CSc2nc(-c3ccccc3Br)n[nH]2)on1 ZINC000032387396 211547818 /nfs/dbraw/zinc/54/78/18/211547818.db2.gz OHCPGAPQLMDIAX-UHFFFAOYSA-N 0 1 351.229 3.823 50 0 FHAAMN CCN1CCN(Cc2ccccc2NC(=O)Nc2ccc(C)cc2)CC1 ZINC000022452007 211350873 /nfs/dbraw/zinc/35/08/73/211350873.db2.gz XCPVNVZTRAXINT-UHFFFAOYSA-N 0 1 352.482 3.777 50 0 FHAAMN O=C(/C=C/c1ccccc1Cl)NCC1(N2CCOCC2)CCCCC1 ZINC000022375355 211348264 /nfs/dbraw/zinc/34/82/64/211348264.db2.gz XFSUQOUJGRHDAZ-CMDGGOBGSA-N 0 1 362.901 3.505 50 0 FHAAMN COc1ccc([C@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)N2CCCC2)cc1 ZINC000022620324 211358345 /nfs/dbraw/zinc/35/83/45/211358345.db2.gz RIQJABGNJDSESL-DOTOQJQBSA-N 0 1 371.308 3.532 50 0 FHAAMN CCc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000022030202 211334965 /nfs/dbraw/zinc/33/49/65/211334965.db2.gz KCUYBKMOYFFGOV-UHFFFAOYSA-N 0 1 362.473 3.673 50 0 FHAAMN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000021033102 211304383 /nfs/dbraw/zinc/30/43/83/211304383.db2.gz DVKVPFHBPPWNIR-UHFFFAOYSA-N 0 1 362.382 3.599 50 0 FHAAMN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000021033336 211303985 /nfs/dbraw/zinc/30/39/85/211303985.db2.gz KICYEKUGSORMSB-UHFFFAOYSA-N 0 1 358.419 3.768 50 0 FHAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C ZINC000021032966 211303332 /nfs/dbraw/zinc/30/33/32/211303332.db2.gz SFSBMLMBTVAFJM-UHFFFAOYSA-N 0 1 358.419 3.768 50 0 FHAAMN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)on1 ZINC000020978326 211301444 /nfs/dbraw/zinc/30/14/44/211301444.db2.gz QBUHQFNSXOCKOZ-UHFFFAOYSA-N 0 1 356.375 3.791 50 0 FHAAMN Cc1ccc2nc([C@H]3CCCN3c3ncc(C)c(-c4ccnn4C)n3)[nH]c2c1 ZINC000020854168 211297138 /nfs/dbraw/zinc/29/71/38/211297138.db2.gz IMJMVGVAADBPFF-GOSISDBHSA-N 0 1 373.464 3.712 50 0 FHAAMN CC(C)C[C@@](O)(c1ccc(O)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000021170084 211308599 /nfs/dbraw/zinc/30/85/99/211308599.db2.gz GJNXCEOWCHRBST-DHIUTWEWSA-N 0 1 369.505 3.742 50 0 FHAAMN c1sc2c(c1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)CCCC2 ZINC000020514324 211285972 /nfs/dbraw/zinc/28/59/72/211285972.db2.gz ZSWLSAQUIRHYRX-UHFFFAOYSA-N 0 1 370.518 3.673 50 0 FHAAMN Cc1cc(C)c2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000020479513 211281438 /nfs/dbraw/zinc/28/14/38/211281438.db2.gz XDAGLZQVAFKDDB-UHFFFAOYSA-N 0 1 362.473 3.728 50 0 FHAAMN COc1ccc([C@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440741 211278901 /nfs/dbraw/zinc/27/89/01/211278901.db2.gz CELUSTIGOWCGPD-XZOQPEGZSA-N 0 1 369.505 3.655 50 0 FHAAMN O=C1c2ccccc2C(=O)N1CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000020223255 211271984 /nfs/dbraw/zinc/27/19/84/211271984.db2.gz XKORRSVKSHMDSO-OAQYLSRUSA-N 0 1 356.425 3.814 50 0 FHAAMN CCOC(=O)CC[P@](=O)([O-])[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000020029153 211263718 /nfs/dbraw/zinc/26/37/18/211263718.db2.gz PEJCPFZLPNIYPP-IBGZPJMESA-N 0 1 361.378 3.699 50 0 FHAAMN O=C(C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000019744259 211252814 /nfs/dbraw/zinc/25/28/14/211252814.db2.gz YCWGPYQYOWVRPW-QGZVFWFLSA-N 0 1 351.381 3.639 50 0 FHAAMN c1c(-c2ccccc2)n(CCCN2CCOCC2)c2nc3ccccc3n12 ZINC000019374325 211219668 /nfs/dbraw/zinc/21/96/68/211219668.db2.gz AGVDGCXWYZVQRG-UHFFFAOYSA-N 0 1 360.461 3.678 50 0 FHAAMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC3)O[C@@H](C)C2 ZINC000017520640 211186148 /nfs/dbraw/zinc/18/61/48/211186148.db2.gz IHZUKFPFGZYMPT-ZDUSSCGKSA-N 0 1 373.474 3.698 50 0 FHAAMN COCCN(Cc1ccc(C)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862314 211147879 /nfs/dbraw/zinc/14/78/79/211147879.db2.gz NQXVEMXPIQWNKL-UHFFFAOYSA-N 0 1 350.462 3.794 50 0 FHAAMN Cc1ccccc1CNC(=O)CSc1nc(C=Cc2cccs2)n[nH]1 ZINC000014167005 211081082 /nfs/dbraw/zinc/08/10/82/211081082.db2.gz SEUGGTKJUJQVLY-CMDGGOBGSA-N 0 1 370.503 3.754 50 0 FHAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC3)N2CCCC2)cc1 ZINC000014121910 211074774 /nfs/dbraw/zinc/07/47/74/211074774.db2.gz QSPKGBWDRMIGNQ-QFIPXVFZSA-N 0 1 364.489 3.751 50 0 FHAAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1F ZINC000012926881 211008678 /nfs/dbraw/zinc/00/86/78/211008678.db2.gz OPPHTFYSARKBCT-UHFFFAOYSA-N 0 1 370.424 3.938 50 0 FHAAMN COc1cccc([C@H](CNC(=O)Nc2ccccc2OC)N2CCCC2)c1 ZINC000012977121 211013277 /nfs/dbraw/zinc/01/32/77/211013277.db2.gz XIXQGWMBVMBGDA-IBGZPJMESA-N 0 1 369.465 3.662 50 0 FHAAMN COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010139685 210866055 /nfs/dbraw/zinc/86/60/55/210866055.db2.gz PRSSFPZCAWQUIP-UHFFFAOYSA-N 0 1 363.461 3.995 50 0 FHAAMN CC(=O)Nc1cc(C(=O)CSc2nc3ccccc3s2)ccc1O ZINC000008526604 210789806 /nfs/dbraw/zinc/78/98/06/210789806.db2.gz HMSCXNJCJCZCEE-UHFFFAOYSA-N 0 1 358.444 3.935 50 0 FHAAMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2C)n1 ZINC000006701662 210690387 /nfs/dbraw/zinc/69/03/87/210690387.db2.gz YNWFJHJJEAHSNN-UHFFFAOYSA-N 0 1 354.435 3.520 50 0 FHAAMN O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2O)n[nH]1 ZINC000005343019 210614978 /nfs/dbraw/zinc/61/49/78/210614978.db2.gz OIBRDVZXAUZBLZ-UHFFFAOYSA-N 0 1 354.366 3.783 50 0 FHAAMN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)c1 ZINC000002327946 210391860 /nfs/dbraw/zinc/39/18/60/210391860.db2.gz NHSZZQVJHPNXCD-UHFFFAOYSA-N 0 1 361.426 3.817 50 0 FHAAMN COc1c2c(cc3c1[C@H](n1c(C)cc4ccccc41)N(C)CC3)OCO2 ZINC000020111891 220312479 /nfs/dbraw/zinc/31/24/79/220312479.db2.gz QALWOCBAGFCWCP-NRFANRHFSA-N 0 1 350.418 3.722 50 0 FHAAMN Cc1cc(=O)[nH]c(N=NC=C2CSc3ccc(Cl)cc3C2Cl)n1 ZINC000001499650 210356039 /nfs/dbraw/zinc/35/60/39/210356039.db2.gz FYRNGSSTMIROAB-NGYBGAFCSA-N 0 1 367.261 3.885 50 0 FHAAMN Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccccc3C)c(O)c12 ZINC000010166799 210343488 /nfs/dbraw/zinc/34/34/88/210343488.db2.gz AYGCIGBTEPUFEG-UHFFFAOYSA-N 0 1 372.428 3.891 50 0 FHAAMN COc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3)nc21 ZINC000010065764 210343585 /nfs/dbraw/zinc/34/35/85/210343585.db2.gz QJZGJBCFRGKRKV-UHFFFAOYSA-N 0 1 355.463 3.513 50 0 FHAAMN O=S(=O)(Nc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001048290 210307867 /nfs/dbraw/zinc/30/78/67/210307867.db2.gz UYWIWEJRVAKQMM-UHFFFAOYSA-N 0 1 370.274 3.920 50 0 FHAAMN CCOc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 ZINC000000756262 210269455 /nfs/dbraw/zinc/26/94/55/210269455.db2.gz UMWFDCLHWOOSSX-QGZVFWFLSA-N 0 1 359.447 3.720 50 0 FHAAMN COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000064979513 221160961 /nfs/dbraw/zinc/16/09/61/221160961.db2.gz XZGVLMBRFDDHTQ-UHFFFAOYSA-N 0 1 364.810 3.804 50 0 FHAAMN O=C(Cc1n[nH]c(Cc2ccc(Cl)cc2)n1)Nc1ccc(F)c(F)c1 ZINC000065232807 221183885 /nfs/dbraw/zinc/18/38/85/221183885.db2.gz QKYHRRCQJPNMLY-UHFFFAOYSA-N 0 1 362.767 3.508 50 0 FHAAMN Cc1ccc(Cc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)n[nH]2)cc1 ZINC000065232659 221183994 /nfs/dbraw/zinc/18/39/94/221183994.db2.gz VIVCICXVWUAESO-UHFFFAOYSA-N 0 1 358.804 3.678 50 0 FHAAMN CCCCn1cc(S(=O)(=O)Nc2cccc(OC)c2)c2cccnc21 ZINC000065242326 221185404 /nfs/dbraw/zinc/18/54/04/221185404.db2.gz FJDCNFRHKWLXLD-UHFFFAOYSA-N 0 1 359.451 3.646 50 0 FHAAMN O=C(c1cccc(F)c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000065287416 221196623 /nfs/dbraw/zinc/19/66/23/221196623.db2.gz UJQKEYIFNMWQFL-UHFFFAOYSA-N 0 1 350.397 3.631 50 0 FHAAMN O=C([O-])C[N@H+]1CC[C@H](c2ccnc(-c3ccccc3OC(F)(F)F)c2)C1 ZINC000065386622 221208435 /nfs/dbraw/zinc/20/84/35/221208435.db2.gz AYVOSHFORLTKID-ZDUSSCGKSA-N 0 1 366.339 3.521 50 0 FHAAMN Cc1cccc(C(C)C)c1NC(=O)CNC[C@H]1OCCc2ccccc21 ZINC000065421144 221218216 /nfs/dbraw/zinc/21/82/16/221218216.db2.gz ATBKZXHKMKIWRW-HXUWFJFHSA-N 0 1 352.478 3.961 50 0 FHAAMN CN(Cc1cccc(C(=O)Nc2cccc(F)c2F)c1)C[C@@H]1CCCO1 ZINC000065452284 221219899 /nfs/dbraw/zinc/21/98/99/221219899.db2.gz ZDCWDIRDCTWKEI-INIZCTEOSA-N 0 1 360.404 3.828 50 0 FHAAMN CCN(C(=O)c1cc(COc2ccccc2OC)n[nH]1)C1CCCCC1 ZINC000067603496 221260578 /nfs/dbraw/zinc/26/05/78/221260578.db2.gz MRKDEYOXXDNPLS-UHFFFAOYSA-N 0 1 357.454 3.792 50 0 FHAAMN Cc1ccccc1N1CCC(N(C)Cc2nc(-c3ccncc3)no2)CC1 ZINC000067724744 221277459 /nfs/dbraw/zinc/27/74/59/221277459.db2.gz YGRPEZLRXKSSCR-UHFFFAOYSA-N 0 1 363.465 3.541 50 0 FHAAMN Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)C(=O)CC(C)C)CC2)c1 ZINC000067740750 221278487 /nfs/dbraw/zinc/27/84/87/221278487.db2.gz BBNZDXNGKWTSGC-UHFFFAOYSA-N 0 1 353.466 3.706 50 0 FHAAMN CC[C@H]1CN(Cc2cnc(SCc3ccccc3)nc2)CC[C@@]1(C)O ZINC000067834374 221292742 /nfs/dbraw/zinc/29/27/42/221292742.db2.gz AGKWICGSUNLUGU-AZUAARDMSA-N 0 1 357.523 3.752 50 0 FHAAMN Fc1ccc(N[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1 ZINC000067847700 221294607 /nfs/dbraw/zinc/29/46/07/221294607.db2.gz LONACGNKQXCSJL-KRWDZBQOSA-N 0 1 360.502 3.959 50 0 FHAAMN CCOc1cc2c(cc1CN1CCC(O)(c3ccc(C)cn3)CC1)CCC2 ZINC000067868689 221297123 /nfs/dbraw/zinc/29/71/23/221297123.db2.gz BZORQCKVPVYKRA-UHFFFAOYSA-N 0 1 366.505 3.761 50 0 FHAAMN CC(C)c1noc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)n1 ZINC000067881544 221299854 /nfs/dbraw/zinc/29/98/54/221299854.db2.gz KOUWJEKMDWVREM-INIZCTEOSA-N 0 1 351.410 3.560 50 0 FHAAMN Cc1ccc2nc(CN3CCC[C@H]3c3nc(-c4ccncc4)no3)[nH]c2c1C ZINC000067895137 221303047 /nfs/dbraw/zinc/30/30/47/221303047.db2.gz KHJZWJOIJXTCPT-KRWDZBQOSA-N 0 1 374.448 3.962 50 0 FHAAMN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NCCc3nc[nH]c32)cc1 ZINC000067966080 221309769 /nfs/dbraw/zinc/30/97/69/221309769.db2.gz ZVEKKRAMWRHODS-NRFANRHFSA-N 0 1 371.444 3.506 50 0 FHAAMN O=S(=O)(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(F)cc1 ZINC000071284420 221339380 /nfs/dbraw/zinc/33/93/80/221339380.db2.gz FWMWDUDKSKKYLO-UHFFFAOYSA-N 0 1 368.393 3.565 50 0 FHAAMN Cc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071730493 221356645 /nfs/dbraw/zinc/35/66/45/221356645.db2.gz KMEBPTFJWXIEKY-NRFANRHFSA-N 0 1 369.484 3.902 50 0 FHAAMN CCc1[nH]c2ccc(CNC(=O)c3ccccc3-c3nnc[nH]3)cc2c1C ZINC000071738646 221357351 /nfs/dbraw/zinc/35/73/51/221357351.db2.gz PEQKEOOXBXEMSX-UHFFFAOYSA-N 0 1 359.433 3.754 50 0 FHAAMN CC(C)[C@@H]1CN(CCC(F)(F)F)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763057 221369898 /nfs/dbraw/zinc/36/98/98/221369898.db2.gz RKWHSLDHLXZRFR-INIZCTEOSA-N 0 1 360.395 3.837 50 0 FHAAMN COc1ccc(F)c(-c2nc(CN3CCC[C@@H](C(C)(C)O)C3)c(C)o2)c1 ZINC000071763567 221371388 /nfs/dbraw/zinc/37/13/88/221371388.db2.gz KYLPRSKUOCKDFE-CQSZACIVSA-N 0 1 362.445 3.781 50 0 FHAAMN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000002178067 132382740 /nfs/dbraw/zinc/38/27/40/132382740.db2.gz DJOOLMZFDMWRCR-UHFFFAOYSA-N 0 1 367.493 3.870 50 0 FHAAMN Cc1[nH]c2c(cccc2C)c1[C@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000021793201 132902376 /nfs/dbraw/zinc/90/23/76/132902376.db2.gz MBAMYNSPKCTYAR-HXUWFJFHSA-N 0 1 367.468 3.779 50 0 FHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(F)cc1F ZINC000043467028 136121335 /nfs/dbraw/zinc/12/13/35/136121335.db2.gz BANAUGIYQLSHIL-UHFFFAOYSA-N 0 1 360.408 3.669 50 0 FHAAMN C[C@@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(F)cc1F ZINC000043800746 136121499 /nfs/dbraw/zinc/12/14/99/136121499.db2.gz LLHLKPDOQANCTG-CQSZACIVSA-N 0 1 374.435 3.599 50 0 FHAAMN Cc1nc2sc3c(c2c(N2CCN(Cc4ccccc4)CC2)n1)CCC3 ZINC000055415622 136126724 /nfs/dbraw/zinc/12/67/24/136126724.db2.gz ARLGMYYWTFVRBU-UHFFFAOYSA-N 0 1 364.518 3.811 50 0 FHAAMN O=C([O-])c1ccccc1[C@H]1CC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000072150804 136142924 /nfs/dbraw/zinc/14/29/24/136142924.db2.gz YAOPDZIVPLFGGM-KRWDZBQOSA-N 0 1 350.462 3.843 50 0 FHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000012544138 136152037 /nfs/dbraw/zinc/15/20/37/136152037.db2.gz HBKQOHPBMLOZTF-KRWDZBQOSA-N 0 1 369.534 3.866 50 0 FHAAMN CCN1CC2(CCN(Cc3cc(C)no3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091745623 221790488 /nfs/dbraw/zinc/79/04/88/221790488.db2.gz YYPKPZUNJBXCSW-HXUWFJFHSA-N 0 1 367.493 3.601 50 0 FHAAMN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000095956573 221978742 /nfs/dbraw/zinc/97/87/42/221978742.db2.gz PGWPGHBSEXZLGG-FZKQIMNGSA-N 0 1 374.916 3.737 50 0 FHAAMN Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000096379758 222117925 /nfs/dbraw/zinc/11/79/25/222117925.db2.gz TXDAJNGLVDMABI-UHFFFAOYSA-N 0 1 374.466 3.914 50 0 FHAAMN Cc1cccnc1CN1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 ZINC000097334140 222175734 /nfs/dbraw/zinc/17/57/34/222175734.db2.gz NSJAOXKDZGZTDM-UHFFFAOYSA-N 0 1 366.292 3.720 50 0 FHAAMN COc1ccc(-c2cc(C(=O)N3CC[C@H]3c3cccc(OC)c3)n[nH]2)cc1 ZINC000097436796 222180385 /nfs/dbraw/zinc/18/03/85/222180385.db2.gz YLJROUHNTNDDBF-FQEVSTJZSA-N 0 1 363.417 3.681 50 0 FHAAMN O=C(c1ccc(CN2CCCC2)o1)N1CCC(OCc2ccccc2)CC1 ZINC000097785446 222212851 /nfs/dbraw/zinc/21/28/51/222212851.db2.gz DWNKGDSFLZPKBC-UHFFFAOYSA-N 0 1 368.477 3.697 50 0 FHAAMN Cc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1 ZINC000104358117 222354973 /nfs/dbraw/zinc/35/49/73/222354973.db2.gz VROSALOXWHNWSE-JOCHJYFZSA-N 0 1 363.505 3.545 50 0 FHAAMN OC[C@H]1CCCN(Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000034868053 263397554 /nfs/dbraw/zinc/39/75/54/263397554.db2.gz NPQVTGVRQDCXKS-DJJJIMSYSA-N 0 1 363.454 3.699 50 0 FHAAMN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)n[nH]1 ZINC000082108103 519831639 /nfs/dbraw/zinc/83/16/39/519831639.db2.gz JQKBKBVUYGOSKP-MRXNPFEDSA-N 0 1 351.410 3.560 50 0 FHAAMN CCN(CC)Cc1cc(C(=O)N2CCC(c3nccn3CC)CC2)c(C)o1 ZINC000091411605 520740388 /nfs/dbraw/zinc/74/03/88/520740388.db2.gz IMPGMNXRMGMSGF-UHFFFAOYSA-N 0 1 372.513 3.666 50 0 FHAAMN CCCn1ncc(C(=O)N2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)c1C ZINC000091663185 521670677 /nfs/dbraw/zinc/67/06/77/521670677.db2.gz SOYWDHKRNKSBIH-INIZCTEOSA-N 0 1 365.481 3.806 50 0 FHAAMN CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000252457291 521700027 /nfs/dbraw/zinc/70/00/27/521700027.db2.gz VKIHTFREMCVFSB-RCCFBDPRSA-N 0 1 358.530 3.775 50 0 FHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC[C@H](Oc2ccccc2)C1 ZINC000257187134 534653742 /nfs/dbraw/zinc/65/37/42/534653742.db2.gz LKEJLTRKLFGWMF-KRWDZBQOSA-N 0 1 351.381 3.509 50 0 FHAAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cnc(Nc2ccccc2)nc1 ZINC000091468644 523166291 /nfs/dbraw/zinc/16/62/91/523166291.db2.gz YGAAIYNGMQQBCW-UHFFFAOYSA-N 0 1 364.453 3.513 50 0 FHAAMN Cc1cccc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)[nH]c21 ZINC000082108967 524914177 /nfs/dbraw/zinc/91/41/77/524914177.db2.gz CIEJXTQYIAFRFR-OAHLLOKOSA-N 0 1 365.481 3.748 50 0 FHAAMN Cc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)[nH]n2)o1 ZINC000091713192 525716570 /nfs/dbraw/zinc/71/65/70/525716570.db2.gz LHZGIHWBBBFCMF-UHFFFAOYSA-N 0 1 369.812 3.780 50 0 FHAAMN Cc1ccc(-c2cc(C(=O)NCCCN3Cc4ccccc4C3)[nH]n2)cc1 ZINC000091440025 525723459 /nfs/dbraw/zinc/72/34/59/525723459.db2.gz PLRWALICAACITJ-UHFFFAOYSA-N 0 1 360.461 3.521 50 0 FHAAMN O=C(c1cc(-c2ccsc2)[nH]n1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000020782920 526597741 /nfs/dbraw/zinc/59/77/41/526597741.db2.gz MXGSPRPNXKCBNW-INIZCTEOSA-N 0 1 352.463 3.855 50 0 FHAAMN CCN(CC)Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)o1 ZINC000219962664 535599532 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Cc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c(C)c1 ZINC000085651569 571233657 /nfs/dbraw/zinc/23/36/57/571233657.db2.gz KEYSZDWJDJHAHW-UHFFFAOYSA-N 0 1 365.473 3.873 50 0 FHAAMN COCCC[C@@H]1CCCCN1C(=O)c1cccc(-c2n[nH]c(SC)n2)c1 ZINC000426711216 571236067 /nfs/dbraw/zinc/23/60/67/571236067.db2.gz FFWVDWMLIJJKOW-INIZCTEOSA-N 0 1 374.510 3.615 50 0 FHAAMN Cc1nc2sc([C@@H](c3ccccc3F)[N@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036066071 571239938 /nfs/dbraw/zinc/23/99/38/571239938.db2.gz UIWGSIXDYDVEPO-XHDPSFHLSA-N 0 1 360.458 3.765 50 0 FHAAMN Fc1cc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1Cl ZINC000091475107 571240074 /nfs/dbraw/zinc/24/00/74/571240074.db2.gz LQCDLSMPRJHIBH-ZWKOTPCHSA-N 0 1 359.876 3.971 50 0 FHAAMN Cn1c(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc2ccccc21 ZINC000091617015 571241295 /nfs/dbraw/zinc/24/12/95/571241295.db2.gz IFAJVDXOEYMSRX-PZJWPPBQSA-N 0 1 360.505 3.670 50 0 FHAAMN COc1ccccc1CN(Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036102801 571241971 /nfs/dbraw/zinc/24/19/71/571241971.db2.gz 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O=C1C2=C(CCCC2)[C@H](N[C@@H]2CCCc3ccccc32)N1C[C@@H]1CCCO1 ZINC000095483076 571331149 /nfs/dbraw/zinc/33/11/49/571331149.db2.gz PTPLPMIEMQNNNC-MTNREXPMSA-N 0 1 366.505 3.872 50 0 FHAAMN Cc1cc(C)cc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000002971476 571343122 /nfs/dbraw/zinc/34/31/22/571343122.db2.gz OCCCLIBELNXGFN-UHFFFAOYSA-N 0 1 353.447 3.705 50 0 FHAAMN COc1ccc([C@H](CNC(=O)c2cccc(F)c2)N2CCCCC2)cc1 ZINC000003402865 571349085 /nfs/dbraw/zinc/34/90/85/571349085.db2.gz JWBLIAMYGCSCBI-FQEVSTJZSA-N 0 1 356.441 3.791 50 0 FHAAMN COc1ccccc1[C@H](CNc1ncnc2sc3c(c21)CCC3)N(C)C ZINC000003456015 571350016 /nfs/dbraw/zinc/35/00/16/571350016.db2.gz RWGDKHFSBBOWID-HNNXBMFYSA-N 0 1 368.506 3.903 50 0 FHAAMN O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000670459843 571356324 /nfs/dbraw/zinc/35/63/24/571356324.db2.gz XBDUZCUIJIXOCP-QGZVFWFLSA-N 0 1 366.490 3.533 50 0 FHAAMN COc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1 ZINC000004169893 571356358 /nfs/dbraw/zinc/35/63/58/571356358.db2.gz XAJMDEWJAMVSEU-UHFFFAOYSA-N 0 1 371.458 3.667 50 0 FHAAMN O=C1c2cccc3cccc(c32)C(=O)N1CCCCCC1N=NC(=S)O1 ZINC000004263656 571357329 /nfs/dbraw/zinc/35/73/29/571357329.db2.gz LRBIBIPTPWBFOJ-UHFFFAOYSA-N 0 1 367.430 3.521 50 0 FHAAMN Cc1[nH]c(SCC(=O)N[C@H](C)c2cccnc2)nc1Cc1ccccc1 ZINC000007988032 571358145 /nfs/dbraw/zinc/35/81/45/571358145.db2.gz DECNSNFXASBTIB-CQSZACIVSA-N 0 1 366.490 3.673 50 0 FHAAMN C[C@H](c1ccc(C(=O)NCc2[nH]nc3c2CCCCC3)o1)N1CCCCC1 ZINC000670467534 571358991 /nfs/dbraw/zinc/35/89/91/571358991.db2.gz BOQLVIOKAWZTHT-OAHLLOKOSA-N 0 1 370.497 3.749 50 0 FHAAMN Cc1cccc2nc(CCC(=O)NC[C@@H]3CCN(C)c4ccccc43)[nH]c21 ZINC000175742455 928038630 /nfs/dbraw/zinc/03/86/30/928038630.db2.gz ZXMUALADSNTYGV-INIZCTEOSA-N 0 1 362.477 3.544 50 0 FHAAMN Cc1cc([C@H]2CCCN(C(=O)COc3cc(C)c(Cl)c(C)c3)C2)n[nH]1 ZINC000332201292 945148673 /nfs/dbraw/zinc/14/86/73/945148673.db2.gz QPOYKJIHTFMESJ-HNNXBMFYSA-N 0 1 361.873 3.773 50 0 FHAAMN Cc1cccc(COc2c(C)cc(CN(C)Cc3nnc[nH]3)cc2C)c1 ZINC000179793111 939937185 /nfs/dbraw/zinc/93/71/85/939937185.db2.gz PXGVDMAYKUUQBZ-UHFFFAOYSA-N 0 1 350.466 3.941 50 0 FHAAMN Cc1cnc(C2CCOCC2)n1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581806324 940613933 /nfs/dbraw/zinc/61/39/33/940613933.db2.gz OROLRJPEOZMHHT-LJQANCHMSA-N 0 1 374.529 3.765 50 0 FHAAMN COc1ccc(C(=O)N2CCC(n3c(C)cnc3C3CC3)CC2)cc1F ZINC000581808483 940616807 /nfs/dbraw/zinc/61/68/07/940616807.db2.gz AFNCJRZBWUZSLM-UHFFFAOYSA-N 0 1 357.429 3.694 50 0 FHAAMN Fc1cnccc1CN1CCC[C@@H]1CCc1noc(-c2ccccc2)n1 ZINC000675019204 943626870 /nfs/dbraw/zinc/62/68/70/943626870.db2.gz CUICOTJHYRHGNS-QGZVFWFLSA-N 0 1 352.413 3.868 50 0 FHAAMN Cc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc(Cl)c1Br ZINC000331878360 944926187 /nfs/dbraw/zinc/92/61/87/944926187.db2.gz UTXLLMWEMAMDRA-GFCCVEGCSA-N 0 1 368.662 3.941 50 0 FHAAMN CCOc1cc([C@@H]2NCCc3cc(OCC)c(OCC)cc32)ccc1O ZINC000000718277 219316555 /nfs/dbraw/zinc/31/65/55/219316555.db2.gz BOYDCQRQYBZISA-NRFANRHFSA-N 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CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC(C)CC1 ZINC000012910167 220041952 /nfs/dbraw/zinc/04/19/52/220041952.db2.gz KQSPNAOXSGHFOE-GOSISDBHSA-N 0 1 373.541 3.601 50 0 FHAAMN COc1ccc2c(CN(C)CCOc3ccccc3Cl)cc(=O)oc2c1 ZINC000012911027 220042264 /nfs/dbraw/zinc/04/22/64/220042264.db2.gz RECHETYLHRRDJH-UHFFFAOYSA-N 0 1 373.836 3.966 50 0 FHAAMN C[C@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000013737816 220092170 /nfs/dbraw/zinc/09/21/70/220092170.db2.gz KSBSLJKYJXTATP-WCAVRKLYSA-N 0 1 367.489 3.935 50 0 in-vitro FHAAMN CC(C)c1n[nH]c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n1 ZINC000014093382 220104964 /nfs/dbraw/zinc/10/49/64/220104964.db2.gz LGNIYOWUXRPBSX-CQSZACIVSA-N 0 1 358.511 3.848 50 0 FHAAMN CC(C)c1nc(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n[nH]1 ZINC000014093382 220104966 /nfs/dbraw/zinc/10/49/66/220104966.db2.gz LGNIYOWUXRPBSX-CQSZACIVSA-N 0 1 358.511 3.848 50 0 FHAAMN CCCn1c(=O)[nH]nc1SCc1cc(-c2ccc(Cl)cc2)no1 ZINC000014120046 220107603 /nfs/dbraw/zinc/10/76/03/220107603.db2.gz VLNFJPZXCJWFHG-UHFFFAOYSA-N 0 1 350.831 3.994 50 0 FHAAMN C[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1cccs1 ZINC000014169115 220112244 /nfs/dbraw/zinc/11/22/44/220112244.db2.gz FQYPBXHVPSBASF-LLVKDONJSA-N 0 1 374.325 3.635 50 0 FHAAMN CCCc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000014897645 220135006 /nfs/dbraw/zinc/13/50/06/220135006.db2.gz RFJUMCYRXSOTKL-ZDUSSCGKSA-N 0 1 358.511 3.606 50 0 FHAAMN CCCc1n[nH]c(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000014897645 220135010 /nfs/dbraw/zinc/13/50/10/220135010.db2.gz RFJUMCYRXSOTKL-ZDUSSCGKSA-N 0 1 358.511 3.606 50 0 FHAAMN CCC[C@H](C)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000015679410 220161057 /nfs/dbraw/zinc/16/10/57/220161057.db2.gz ZZBXUVKNHPERJI-AWEZNQCLSA-N 0 1 360.889 3.677 50 0 FHAAMN O=c1c2cc(F)ccc2[nH]cc1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000015829335 220166136 /nfs/dbraw/zinc/16/61/36/220166136.db2.gz QLLWCJSXWYOCPA-UHFFFAOYSA-N 0 1 355.749 3.705 50 0 FHAAMN Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)N2CCC(C)CC2)o1 ZINC000015860302 220168545 /nfs/dbraw/zinc/16/85/45/220168545.db2.gz GXMQJEDPOWIDSD-HXUWFJFHSA-N 0 1 370.493 3.865 50 0 FHAAMN Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCC2)o1 ZINC000015860196 220168579 /nfs/dbraw/zinc/16/85/79/220168579.db2.gz QIHLVXKAORASOU-FQEVSTJZSA-N 0 1 370.493 3.927 50 0 FHAAMN Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCCCC2)o1 ZINC000015860177 220169232 /nfs/dbraw/zinc/16/92/32/220169232.db2.gz NHIJPKHKKYTZRX-GOSISDBHSA-N 0 1 356.466 3.619 50 0 FHAAMN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000015865261 220169629 /nfs/dbraw/zinc/16/96/29/220169629.db2.gz DVCHUYJZBWUNEY-UHFFFAOYSA-N 0 1 370.409 3.544 50 0 FHAAMN c1ccc2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1 ZINC000019536932 220268820 /nfs/dbraw/zinc/26/88/20/220268820.db2.gz LSJHKAIHZJUKFS-UHFFFAOYSA-N 0 1 360.457 3.886 50 0 FHAAMN Cc1ccc(CN2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)cc1 ZINC000019741854 220292482 /nfs/dbraw/zinc/29/24/82/220292482.db2.gz 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ZINC000018038245 220222356 /nfs/dbraw/zinc/22/23/56/220222356.db2.gz QSKYXFFJXIDPSS-GGPKGHCWSA-N 0 1 364.445 3.782 50 0 FHAAMN O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc2o1 ZINC000019371318 220252771 /nfs/dbraw/zinc/25/27/71/220252771.db2.gz ZUFJYRMOVXEQIB-UHFFFAOYSA-N 0 1 368.864 3.764 50 0 FHAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000020574837 220332875 /nfs/dbraw/zinc/33/28/75/220332875.db2.gz XWVZBUDKFGGWHE-UHFFFAOYSA-N 0 1 370.858 3.571 50 0 FHAAMN Fc1ccc(Br)cc1CNC[C@H]1COc2ccccc2O1 ZINC000020567259 220332945 /nfs/dbraw/zinc/33/29/45/220332945.db2.gz ITFZNTRIAHGNGD-ZDUSSCGKSA-N 0 1 352.203 3.518 50 0 FHAAMN CCCN1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000020595129 220335374 /nfs/dbraw/zinc/33/53/74/220335374.db2.gz QQRMEBAGFONBPZ-UHFFFAOYSA-N 0 1 364.704 3.613 50 0 FHAAMN Cc1cc(C)c2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020412431 220326111 /nfs/dbraw/zinc/32/61/11/220326111.db2.gz VREIFCVVBJQDJU-UHFFFAOYSA-N 0 1 362.473 3.728 50 0 FHAAMN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1OC)NCC2 ZINC000020506940 220330706 /nfs/dbraw/zinc/33/07/06/220330706.db2.gz RZDWAUYVPWTZRU-HXUWFJFHSA-N 0 1 357.450 3.736 50 0 FHAAMN Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000021097232 220351061 /nfs/dbraw/zinc/35/10/61/220351061.db2.gz CTXHDSCOZDWHAD-UHFFFAOYSA-N 0 1 372.881 3.842 50 0 FHAAMN COc1cc(OC)c(CNC[C@@H](c2ccco2)N2CCCCC2)c(OC)c1 ZINC000022024827 220373555 /nfs/dbraw/zinc/37/35/55/220373555.db2.gz WXSMOZTUNBXGQH-SFHVURJKSA-N 0 1 374.481 3.622 50 0 FHAAMN Cc1nc2sc([C@H](c3cccc(C)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000022626076 220393197 /nfs/dbraw/zinc/39/31/97/220393197.db2.gz OWEOZWPOVTUCPZ-CJNGLKHVSA-N 0 1 356.495 3.935 50 0 FHAAMN CCCN1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000022787103 220398125 /nfs/dbraw/zinc/39/81/25/220398125.db2.gz VKVRSKBKZWRWAQ-HXUWFJFHSA-N 0 1 355.457 3.533 50 0 FHAAMN COc1cc(OC)c(OC)cc1CNCc1cccc(Br)c1 ZINC000022793068 220398774 /nfs/dbraw/zinc/39/87/74/220398774.db2.gz 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ZINC000057475461 221089665 /nfs/dbraw/zinc/08/96/65/221089665.db2.gz OTCVIFWBWHMHMR-AWEZNQCLSA-N 0 1 371.868 3.756 50 0 FHAAMN O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)nc2ccccn12 ZINC000058019023 221097337 /nfs/dbraw/zinc/09/73/37/221097337.db2.gz UKDSHIPPMGNZLH-UHFFFAOYSA-N 0 1 355.441 3.897 50 0 FHAAMN COc1ccc2oc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c(C)c2c1 ZINC000060390836 221131465 /nfs/dbraw/zinc/13/14/65/221131465.db2.gz SHOBNRLELMICBU-SFHVURJKSA-N 0 1 370.424 3.922 50 0 FHAAMN C/C(=C\C(=O)NC1CCN(Cc2ccccn2)CC1)CCc1ccccc1 ZINC000058407306 221117365 /nfs/dbraw/zinc/11/73/65/221117365.db2.gz MLIUKHVQQWXEMZ-HTXNQAPBSA-N 0 1 363.505 3.741 50 0 FHAAMN CCOc1ccc(CN(CC)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000064590918 221149131 /nfs/dbraw/zinc/14/91/31/221149131.db2.gz YCMAFZNICQBKCU-UHFFFAOYSA-N 0 1 371.868 3.769 50 0 FHAAMN CCO[C@@H](c1ccc(Br)cc1)[C@@H](NC)C(=O)c1ccccc1 ZINC000061868583 221135682 /nfs/dbraw/zinc/13/56/82/221135682.db2.gz HXBYRMFPYAGPJO-WMZOPIPTSA-N 0 1 362.267 3.998 50 0 FHAAMN O=C(Cc1n[nH]c(Cc2ccc(Cl)cc2)n1)Nc1cc(F)ccc1F ZINC000065232806 221183308 /nfs/dbraw/zinc/18/33/08/221183308.db2.gz PJCFYMMSYQHUEY-UHFFFAOYSA-N 0 1 362.767 3.508 50 0 FHAAMN CCCCn1cc(S(=O)(=O)Nc2ccc(OC)cc2)c2cccnc21 ZINC000065242327 221186282 /nfs/dbraw/zinc/18/62/82/221186282.db2.gz VGVNFQKCNSBUSN-UHFFFAOYSA-N 0 1 359.451 3.646 50 0 FHAAMN Cc1cccc(C(C)C)c1NC(=O)CNC[C@@H]1OCCc2ccccc21 ZINC000065421147 221217048 /nfs/dbraw/zinc/21/70/48/221217048.db2.gz ATBKZXHKMKIWRW-FQEVSTJZSA-N 0 1 352.478 3.961 50 0 FHAAMN O=C(Nc1nncs1)c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000065423070 221217513 /nfs/dbraw/zinc/21/75/13/221217513.db2.gz XNUKQNYCFFGINX-QGZVFWFLSA-N 0 1 365.462 3.523 50 0 FHAAMN Cc1ccc(Cl)c(OCCN2CCC([C@H](O)c3cccnc3)CC2)c1 ZINC000065456787 221221485 /nfs/dbraw/zinc/22/14/85/221221485.db2.gz JLBNXAZBXVYERE-FQEVSTJZSA-N 0 1 360.885 3.868 50 0 FHAAMN O=S(=O)(c1cccc(Cl)c1)c1cnc2cc(F)c(F)cc2c1O ZINC000067172785 221248364 /nfs/dbraw/zinc/24/83/64/221248364.db2.gz ORNBCKLWHKIUIJ-UHFFFAOYSA-N 0 1 355.749 3.705 50 0 FHAAMN Cc1noc(-c2ccc(Oc3cccc(CN4CCCC4)c3F)nc2)n1 ZINC000067446709 221254556 /nfs/dbraw/zinc/25/45/56/221254556.db2.gz PTGFZXWCEYMLEK-UHFFFAOYSA-N 0 1 354.385 3.967 50 0 FHAAMN Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000067459240 221255280 /nfs/dbraw/zinc/25/52/80/221255280.db2.gz UZNWHNBCSLBADU-NRFANRHFSA-N 0 1 353.466 3.660 50 0 FHAAMN O=C([O-])c1ccccc1C[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067654709 221266972 /nfs/dbraw/zinc/26/69/72/221266972.db2.gz LIQABAWUDVNRJI-UHFFFAOYSA-N 0 1 352.365 3.737 50 0 FHAAMN CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nnc[nH]2)cc1 ZINC000067586922 221259031 /nfs/dbraw/zinc/25/90/31/221259031.db2.gz IXWOCBPRMCQJFE-AWEZNQCLSA-N 0 1 372.432 3.903 50 0 FHAAMN C[N@H+]1CCCC2(CCN(c3cc(C(=O)[O-])c4ccccc4n3)CC2)CC1 ZINC000067714119 221275303 /nfs/dbraw/zinc/27/53/03/221275303.db2.gz DIXUWKDESVDDFQ-UHFFFAOYSA-N 0 1 353.466 3.635 50 0 FHAAMN Cc1cc2oc(=O)cc(CN3CCc4n[nH]c(C5CCC5)c4C3)c2cc1C ZINC000067725142 221277714 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CCc1ocnc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 ZINC000067851392 221295159 /nfs/dbraw/zinc/29/51/59/221295159.db2.gz YEJPVGISQSOXCJ-MRXNPFEDSA-N 0 1 364.449 3.955 50 0 FHAAMN CCn1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)n1 ZINC000067868713 221296488 /nfs/dbraw/zinc/29/64/88/221296488.db2.gz OCZXDDNVJSQAPR-QGZVFWFLSA-N 0 1 363.465 3.621 50 0 FHAAMN CC[C@H](c1cccnc1)N(C)C(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067878184 221300403 /nfs/dbraw/zinc/30/04/03/221300403.db2.gz QOBZPSRQWUDMTM-LJQANCHMSA-N 0 1 350.422 3.607 50 0 FHAAMN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)no2)cc1 ZINC000071195100 221336298 /nfs/dbraw/zinc/33/62/98/221336298.db2.gz VBTMJTHPXFBQTJ-KRWDZBQOSA-N 0 1 355.463 3.744 50 0 FHAAMN COc1cccc(C[C@H]2CN(CCc3c[nH]c4ccccc34)CCO2)c1 ZINC000071746735 221357903 /nfs/dbraw/zinc/35/79/03/221357903.db2.gz PFKPCCHQPQQKMA-FQEVSTJZSA-N 0 1 350.462 3.663 50 0 FHAAMN CC(C)[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCC[N@@H+]1CC1CC1 ZINC000071751348 221361871 /nfs/dbraw/zinc/36/18/71/221361871.db2.gz XORWZULQRBCMKL-GOSISDBHSA-N 0 1 364.917 3.557 50 0 FHAAMN CC(C)[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCC[N@H+]1CC1CC1 ZINC000071751348 221361873 /nfs/dbraw/zinc/36/18/73/221361873.db2.gz XORWZULQRBCMKL-GOSISDBHSA-N 0 1 364.917 3.557 50 0 FHAAMN COc1c[nH]c(CN2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)cc1=O ZINC000072145030 221422410 /nfs/dbraw/zinc/42/24/10/221422410.db2.gz JGENOFXYTRZIDC-SFHVURJKSA-N 0 1 355.482 3.996 50 0 FHAAMN CSCC[C@H](C(=O)Nc1n[nH]c(CCC2CCCC2)n1)n1cccc1 ZINC000263588552 533631345 /nfs/dbraw/zinc/63/13/45/533631345.db2.gz VQRJUIGSNOOYDX-OAHLLOKOSA-N 0 1 361.515 3.662 50 0 FHAAMN CSCC[C@H](C(=O)Nc1nc(CCC2CCCC2)n[nH]1)n1cccc1 ZINC000263588552 533631349 /nfs/dbraw/zinc/63/13/49/533631349.db2.gz VQRJUIGSNOOYDX-OAHLLOKOSA-N 0 1 361.515 3.662 50 0 FHAAMN Cc1ccc(C)c(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)c1 ZINC000299773883 533656483 /nfs/dbraw/zinc/65/64/83/533656483.db2.gz GRRMELROWAWPMW-NRFANRHFSA-N 0 1 354.469 3.938 50 0 FHAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2)CC1 ZINC000000959113 132252514 /nfs/dbraw/zinc/25/25/14/132252514.db2.gz QEDJNTPZRAOHQL-UHFFFAOYSA-N 0 1 363.383 3.710 50 0 FHAAMN Cc1cccc2[nH]c3c(ncnc3N3CCN(Cc4ccccc4)CC3)c21 ZINC000061935705 136132566 /nfs/dbraw/zinc/13/25/66/136132566.db2.gz VGEJQLCXXWRUDC-UHFFFAOYSA-N 0 1 357.461 3.742 50 0 FHAAMN CNc1nc(C)cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000071422211 136139240 /nfs/dbraw/zinc/13/92/40/136139240.db2.gz HKKJESFEMHNGPH-CQSZACIVSA-N 0 1 353.253 3.711 50 0 FHAAMN Cc1sc2ccccc2c1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000095427313 221901188 /nfs/dbraw/zinc/90/11/88/221901188.db2.gz FPXPDMKWDKWORQ-UHFFFAOYSA-N 0 1 370.459 3.796 50 0 FHAAMN Cc1nn(C)c2nc(N[C@@H]3CCCN(Cc4ccccc4F)C3)sc12 ZINC000096136808 222041890 /nfs/dbraw/zinc/04/18/90/222041890.db2.gz YRVLQMOOFZLCCJ-CQSZACIVSA-N 0 1 359.474 3.554 50 0 FHAAMN CC(C)COc1ccc(-c2cc(-c3nc([C@@H]4CCOC4)no3)[nH]n2)cc1 ZINC000096150658 222052015 /nfs/dbraw/zinc/05/20/15/222052015.db2.gz 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