smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160351156 296037836 /nfs/dbraw/zinc/03/78/36/296037836.db2.gz VOBCPVBJDHMEOX-CHWSQXEVSA-N 0 3 313.442 0.500 20 70 DCIDHN CCOC(=O)C1CCC(O)(CNCC(=O)N(C)CC)CC1 ZINC000218317821 337326178 /nfs/dbraw/zinc/32/61/78/337326178.db2.gz YAIHSPDLEZAYEN-UHFFFAOYSA-N 0 3 300.399 0.539 20 70 DCIDHN CN(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cn1 ZINC000160353011 522148239 /nfs/dbraw/zinc/14/82/39/522148239.db2.gz BVNOQSLCRAKZKI-CQSZACIVSA-N 0 3 306.410 0.724 20 70 DCIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000161389750 534866534 /nfs/dbraw/zinc/86/65/34/534866534.db2.gz FMXICZOGZXTCPZ-UHFFFAOYSA-N 0 3 316.398 0.808 20 70 DCIDHN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1C[C@H](O)CN1 ZINC000160396788 526924819 /nfs/dbraw/zinc/92/48/19/526924819.db2.gz RVMACTPNFPSLDB-YNEHKIRRSA-N 0 3 323.780 0.284 20 70 DCIDHN NC(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159978050 527040041 /nfs/dbraw/zinc/04/00/41/527040041.db2.gz SLRZMBKITYXDRD-CQSZACIVSA-N 0 3 305.378 0.362 20 70 DCIDHN CC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000161448730 527388712 /nfs/dbraw/zinc/38/87/12/527388712.db2.gz LOQBGIXCZUNNFK-AWEZNQCLSA-N 0 3 314.407 0.480 20 70 DCIDHN CN(CCN1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160673094 396075168 /nfs/dbraw/zinc/07/51/68/396075168.db2.gz FJQJVWJOVPSHKI-OAHLLOKOSA-N 0 3 310.442 0.444 20 70 DCIDHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000161185301 396076667 /nfs/dbraw/zinc/07/66/67/396076667.db2.gz WGWBVRRFSFQPGR-RISCZKNCSA-N 0 3 308.426 0.853 20 70 DCIDHN Cc1nn(C)c(C)c1CC(=O)NCC1CCN(CCO)CC1 ZINC000160688513 158356246 /nfs/dbraw/zinc/35/62/46/158356246.db2.gz BLHDFAZIOVRJIN-UHFFFAOYSA-N 0 3 308.426 0.400 20 70 DCIDHN CSCC[C@H](N)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160994128 416010308 /nfs/dbraw/zinc/01/03/08/416010308.db2.gz OTYHPZGIGHWTSX-JQWIXIFHSA-N 0 3 320.422 0.920 20 70 DCIDHN Cc1cc(F)c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)cc1F ZINC000161446140 301297050 /nfs/dbraw/zinc/29/70/50/301297050.db2.gz WVZPKJSAYZGFPP-ZDUSSCGKSA-N 0 3 322.377 0.864 20 70 DCIDHN COC(=O)CCc1nnc(NC(=O)[C@@H](N)CC(C)C)s1 ZINC000159458944 291052996 /nfs/dbraw/zinc/05/29/96/291052996.db2.gz PSZPANCJKGDQHA-QMMMGPOBSA-N 0 3 300.384 0.956 20 70 DCIDHN C[C@@H](CN1CCOCC1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000159739161 291236056 /nfs/dbraw/zinc/23/60/56/291236056.db2.gz SLGKYJQYLIBFGA-ZDUSSCGKSA-N 0 3 312.435 0.900 20 70 DCIDHN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000161390335 396076603 /nfs/dbraw/zinc/07/66/03/396076603.db2.gz CPUYJSFGQKDVCR-ZDUSSCGKSA-N 0 3 319.409 0.826 20 70 DCIDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000161430949 158357080 /nfs/dbraw/zinc/35/70/80/158357080.db2.gz ZXSKXWDJXWOYFS-CQSZACIVSA-N 0 3 300.424 0.894 20 70 DCIDHN CN(C)CCn1ccc(NC(=O)[C@H]2CCn3ccnc3C2)n1 ZINC000161044886 416011412 /nfs/dbraw/zinc/01/14/12/416011412.db2.gz YMMLUEKLLCVNBQ-LBPRGKRZSA-N 0 3 302.382 0.842 20 70 DCIDHN CC(C)CCC(=O)NCC(=O)NCC1CCN(CCO)CC1 ZINC000160566835 519634518 /nfs/dbraw/zinc/63/45/18/519634518.db2.gz FPDJLZKLZLEREA-UHFFFAOYSA-N 0 3 313.442 0.359 20 70 DCIDHN C[C@H](Cn1cc(Br)cn1)N[C@H]1CCS(=O)(=O)C1 ZINC000161308472 524770282 /nfs/dbraw/zinc/77/02/82/524770282.db2.gz MYFYYYOCJLDRKS-SCZZXKLOSA-N 0 3 322.228 0.811 20 70 DCIDHN COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)c1 ZINC000161422694 525061965 /nfs/dbraw/zinc/06/19/65/525061965.db2.gz RAJPQLYJYSWBIX-CQSZACIVSA-N 0 3 316.423 0.595 20 70 DCIDHN C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160008179 525963974 /nfs/dbraw/zinc/96/39/74/525963974.db2.gz UUTPCFDERRWORX-ZIAGYGMSSA-N 0 3 307.394 0.812 20 70 DCIDHN O=C(Cc1ccc2c(c1)OCO2)NC[C@@H](O)CN1CCCCC1 ZINC000160391128 527251902 /nfs/dbraw/zinc/25/19/02/527251902.db2.gz YCFQTQWSOUGLBE-CQSZACIVSA-N 0 3 320.389 0.921 20 70 DCIDHN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160282312 527652993 /nfs/dbraw/zinc/65/29/93/527652993.db2.gz WHULNKRBIABGCI-CQSZACIVSA-N 0 3 324.425 0.379 20 70 DCIDHN O=C(CN1CCN(c2ccncc2)CC1)NC[C@H]1CCCO1 ZINC000161401353 545865688 /nfs/dbraw/zinc/86/56/88/545865688.db2.gz ROZLTDDNVLWPTO-OAHLLOKOSA-N 0 3 304.394 0.499 20 70 DCIDHN C[C@H]1OCCN(C(=O)NCCCCN2CCN(C)CC2)[C@@H]1C ZINC000160069137 291237708 /nfs/dbraw/zinc/23/77/08/291237708.db2.gz FMYJXJWJSKTHTO-HUUCEWRRSA-N 0 3 312.458 0.833 20 70 DCIDHN C[C@@H]1OCCN(C(=O)NCCCCN2CCN(C)CC2)[C@H]1C ZINC000160069013 291237719 /nfs/dbraw/zinc/23/77/19/291237719.db2.gz FMYJXJWJSKTHTO-GJZGRUSLSA-N 0 3 312.458 0.833 20 70 DCIDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000160997026 416011367 /nfs/dbraw/zinc/01/13/67/416011367.db2.gz OTYHPZGIGHWTSX-ZYHUDNBSSA-N 0 3 320.422 0.920 20 70 DCIDHN CC[C@H](O)CCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000160942824 416011664 /nfs/dbraw/zinc/01/16/64/416011664.db2.gz HPIZRUYSWVLIKP-AWEZNQCLSA-N 0 3 300.447 0.473 20 70 DCIDHN CCN1CCCN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000159831024 279285908 /nfs/dbraw/zinc/28/59/08/279285908.db2.gz ROOLWZPFZYGWRX-HNNXBMFYSA-N 0 3 311.474 0.360 20 70 DCIDHN COc1cccc(O[C@@H](C)CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000161130776 526237767 /nfs/dbraw/zinc/23/77/67/526237767.db2.gz WPJUHLJNQMQCHE-SWLSCSKDSA-N 0 3 308.378 0.957 20 70 DCIDHN NC(=O)COc1ccc(/C=C/C(=O)N2CCCNCC2)cc1 ZINC000160815766 526890395 /nfs/dbraw/zinc/89/03/95/526890395.db2.gz FDTPTHKPOHTOTK-QPJJXVBHSA-N 0 3 303.362 0.386 20 70 DCIDHN CCN1CCCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000159826248 285214434 /nfs/dbraw/zinc/21/44/34/285214434.db2.gz LHLKURPFWTYRKL-HUUCEWRRSA-N 0 3 312.458 0.833 20 70 DCIDHN COCc1nc(C(=O)NC[C@@H](O)CN2CCCCC2)cs1 ZINC000160322552 533274986 /nfs/dbraw/zinc/27/49/86/533274986.db2.gz LFSDNHJAFBAPBS-LLVKDONJSA-N 0 3 313.423 0.866 20 70 DCIDHN CCNC(=O)N1CC[C@@H](NC(=O)N2CCCN(CC)CC2)C1 ZINC000159992178 396072310 /nfs/dbraw/zinc/07/23/10/396072310.db2.gz QSZDNITXBMYULU-CYBMUJFWSA-N 0 3 311.430 0.527 20 70 DCIDHN CN(CC1CCN(C)CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161012734 158355647 /nfs/dbraw/zinc/35/56/47/158355647.db2.gz HZKRCNDLYYRUAA-CYBMUJFWSA-N 0 3 306.414 0.576 20 70 DCIDHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000161251839 158357671 /nfs/dbraw/zinc/35/76/71/158357671.db2.gz FGULJEHVTUISKE-KGLIPLIRSA-N 0 3 319.405 0.780 20 70 DCIDHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CNCCOC)CC2 ZINC000160751001 276475615 /nfs/dbraw/zinc/47/56/15/276475615.db2.gz XXMOXQCNDCVOJJ-CHWSQXEVSA-N 0 3 300.399 0.001 20 70 DCIDHN Cc1conc1NC(=O)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000161129025 279037004 /nfs/dbraw/zinc/03/70/04/279037004.db2.gz POPISRHTQMLENT-LBPRGKRZSA-N 0 3 324.381 0.131 20 70 DCIDHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C(C)(C)N)CC2 ZINC000160029013 521991191 /nfs/dbraw/zinc/99/11/91/521991191.db2.gz PSVSZJNBKAFUOQ-UHFFFAOYSA-N 0 3 311.407 0.563 20 70 DCIDHN CC[C@H](N)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161489691 522327168 /nfs/dbraw/zinc/32/71/68/522327168.db2.gz XIACCPTZCPXZIW-QWRGUYRKSA-N 0 3 314.769 0.998 20 70 DCIDHN C[C@H](C(=O)N1CCCNCC1)n1nnc(-c2ccccc2)n1 ZINC000160882289 525967920 /nfs/dbraw/zinc/96/79/20/525967920.db2.gz GJVIQQLLBXRNAY-GFCCVEGCSA-N 0 3 300.366 0.723 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000160792745 545865002 /nfs/dbraw/zinc/86/50/02/545865002.db2.gz XLRVTMXXHQRETH-ZJUUUORDSA-N 0 3 315.395 0.496 20 70 DCIDHN COCCCNC(=O)CN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000161318915 291241815 /nfs/dbraw/zinc/24/18/15/291241815.db2.gz GPIMEZQZJSDKAK-UHFFFAOYSA-N 0 3 321.421 0.973 20 70 DCIDHN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CNCCOC)CC2 ZINC000160751104 279922046 /nfs/dbraw/zinc/92/20/46/279922046.db2.gz XXMOXQCNDCVOJJ-OLZOCXBDSA-N 0 3 300.399 0.001 20 70 DCIDHN CCOC(=O)CCc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000160492177 520718103 /nfs/dbraw/zinc/71/81/03/520718103.db2.gz WRKJWDGDCMZSNA-UONOGXRCSA-N 0 3 306.362 0.844 20 70 DCIDHN C[C@H](N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795257 524819939 /nfs/dbraw/zinc/81/99/39/524819939.db2.gz ALVOJMIHJABUAV-ZFWWWQNUSA-N 0 3 316.405 0.283 20 70 DCIDHN O=C(CNC[C@H]1CCCO1)NCCCOC[C@H]1CCOC1 ZINC000160585246 237083779 /nfs/dbraw/zinc/08/37/79/237083779.db2.gz URQSRUDPPOHZQP-ZIAGYGMSSA-N 0 3 300.399 0.314 20 70 DCIDHN CS[C@H](C)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000159674444 291236034 /nfs/dbraw/zinc/23/60/34/291236034.db2.gz NGEQWFVDDAJMSJ-CHWSQXEVSA-N 0 3 302.488 0.921 20 70 DCIDHN C[C@@H]1[C@H](C)OCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000160068891 291237575 /nfs/dbraw/zinc/23/75/75/291237575.db2.gz FMYJXJWJSKTHTO-CABCVRRESA-N 0 3 312.458 0.833 20 70 DCIDHN CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159864894 396071453 /nfs/dbraw/zinc/07/14/53/396071453.db2.gz VKLJUNJTVLGUEJ-XQQFMLRXSA-N 0 3 317.455 0.736 20 70 DCIDHN COCCC1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000161400992 292284999 /nfs/dbraw/zinc/28/49/99/292284999.db2.gz BCTVVFNYPNSZPV-CQSZACIVSA-N 0 3 323.437 0.744 20 70 DCIDHN CNC(=O)c1cccc(CCNC(=O)[C@@H](N)CCSC)c1 ZINC000161417419 158357456 /nfs/dbraw/zinc/35/74/56/158357456.db2.gz IGGRUOMIBIFXGR-ZDUSSCGKSA-N 0 3 309.435 0.785 20 70 DCIDHN CN(C)C[C@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)CCO1 ZINC000160014710 416006331 /nfs/dbraw/zinc/00/63/31/416006331.db2.gz SZMBHJXVGUWPSX-NWDGAFQWSA-N 0 3 323.359 0.802 20 70 DCIDHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000161185676 302743551 /nfs/dbraw/zinc/74/35/51/302743551.db2.gz WGWBVRRFSFQPGR-SMDDNHRTSA-N 0 3 308.426 0.853 20 70 DCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc2c1OCO2 ZINC000160470709 237083346 /nfs/dbraw/zinc/08/33/46/237083346.db2.gz SVIFDMSHMRLJOS-GFCCVEGCSA-N 0 3 306.362 0.992 20 70 DCIDHN CCN1CCCN(C(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000159889815 285210097 /nfs/dbraw/zinc/21/00/97/285210097.db2.gz HJGMHGOBVXVGDL-OAHLLOKOSA-N 0 3 312.458 0.692 20 70 DCIDHN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160742446 396075380 /nfs/dbraw/zinc/07/53/80/396075380.db2.gz DUSDWIQAIJURSE-UONOGXRCSA-N 0 3 308.426 0.637 20 70 DCIDHN CCC[C@@H](C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1)N(C)C ZINC000160701872 158356307 /nfs/dbraw/zinc/35/63/07/158356307.db2.gz YYHYFMIOJNQLKS-ZDUSSCGKSA-N 0 3 308.430 0.488 20 70 DCIDHN C[C@H](NC(=O)c1ccoc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160562544 416009982 /nfs/dbraw/zinc/00/99/82/416009982.db2.gz HURQIXVMYMOENC-LBPRGKRZSA-N 0 3 323.393 0.218 20 70 DCIDHN CC(C)CCNC(=O)C(C)S(=O)(=O)Cc1nccn1C ZINC000161173341 416010391 /nfs/dbraw/zinc/01/03/91/416010391.db2.gz KPSYXBNSZPQGSS-LLVKDONJSA-N 0 3 301.412 0.886 20 70 DCIDHN C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160351032 299025827 /nfs/dbraw/zinc/02/58/27/299025827.db2.gz VOBCPVBJDHMEOX-QWHCGFSZSA-N 0 3 313.442 0.500 20 70 DCIDHN C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CN(C)CCO1 ZINC000160238211 545861459 /nfs/dbraw/zinc/86/14/59/545861459.db2.gz MUSSECHFTQSRCT-JSGCOSHPSA-N 0 3 324.429 0.285 20 70 DCIDHN CNCC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000159812790 529956266 /nfs/dbraw/zinc/95/62/66/529956266.db2.gz LJFAXITUQYZQBN-AWEZNQCLSA-N 0 3 319.405 0.653 20 70 DCIDHN COC(=O)Cn1cc(CCN2CCC(n3cccn3)CC2)nn1 ZINC000160130616 396073165 /nfs/dbraw/zinc/07/31/65/396073165.db2.gz JMPDZZVTTKFUMN-UHFFFAOYSA-N 0 3 318.381 0.527 20 70 DCIDHN O=C1NC2(CCCC2)C(=O)N1CCN1CCN(CC2CC2)CC1 ZINC000159406182 396067876 /nfs/dbraw/zinc/06/78/76/396067876.db2.gz KVYAROUZPGICDW-UHFFFAOYSA-N 0 3 320.437 0.879 20 70 DCIDHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)Cc1nccn1C ZINC000161194408 416010908 /nfs/dbraw/zinc/01/09/08/416010908.db2.gz UNMFGZXYYRKAKG-GFCCVEGCSA-N 0 3 313.423 0.982 20 70 DCIDHN C[C@H](N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795111 524820974 /nfs/dbraw/zinc/82/09/74/524820974.db2.gz ALVOJMIHJABUAV-DZGCQCFKSA-N 0 3 316.405 0.283 20 70 DCIDHN CSCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159555838 525583642 /nfs/dbraw/zinc/58/36/42/525583642.db2.gz KJHLFXRFUMUDNZ-QWHCGFSZSA-N 0 3 307.419 0.989 20 70 DCIDHN CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1 ZINC000161487013 528740782 /nfs/dbraw/zinc/74/07/82/528740782.db2.gz WIWVMLYKMFILMD-ZDUSSCGKSA-N 0 3 318.443 0.130 20 70 DCIDHN CN(CC1CC1)C(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159429209 545858741 /nfs/dbraw/zinc/85/87/41/545858741.db2.gz SWWJVXJDIMSREC-OAHLLOKOSA-N 0 3 322.453 0.269 20 70 DCIDHN CSCC[C@@H](N)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160046680 396072244 /nfs/dbraw/zinc/07/22/44/396072244.db2.gz FOSWOLOOMKLYTR-LLVKDONJSA-N 0 3 301.456 0.832 20 70 DCIDHN CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)N(C)C ZINC000159515203 396068833 /nfs/dbraw/zinc/06/88/33/396068833.db2.gz VHVXNBLVZVJDGQ-AVGNSLFASA-N 0 3 319.471 0.407 20 70 DCIDHN O=C(NCC1CCN(CCO)CC1)c1ncoc1[C@H]1CCCO1 ZINC000160577524 158354638 /nfs/dbraw/zinc/35/46/38/158354638.db2.gz OSRXOTDHIAMLHA-CYBMUJFWSA-N 0 3 323.393 0.960 20 70 DCIDHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000161424519 416012311 /nfs/dbraw/zinc/01/23/11/416012311.db2.gz CZQMHMTXCUFXGM-CYBMUJFWSA-N 0 3 312.395 0.154 20 70 DCIDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000161466411 521884021 /nfs/dbraw/zinc/88/40/21/521884021.db2.gz VWHOINVFMJHNCH-GFCCVEGCSA-N 0 3 321.830 0.467 20 70 DCIDHN O=S(=O)(NCC1CCN(CCO)CC1)N1CCCCCC1 ZINC000161404461 534866385 /nfs/dbraw/zinc/86/63/85/534866385.db2.gz POSLMEGYXBUGGB-UHFFFAOYSA-N 0 3 319.471 0.401 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000160792613 545864400 /nfs/dbraw/zinc/86/44/00/545864400.db2.gz XLRVTMXXHQRETH-NXEZZACHSA-N 0 3 315.395 0.496 20 70 DCIDHN O=S(=O)(C[C@@H]1CCCCO1)NCC1CCN(CCO)CC1 ZINC000161387634 237096377 /nfs/dbraw/zinc/09/63/77/237096377.db2.gz KRWRHHDQUROWRZ-AWEZNQCLSA-N 0 3 320.455 0.179 20 70 DCIDHN CC(C)[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)N1CCCCC1 ZINC000161235699 291240969 /nfs/dbraw/zinc/24/09/69/291240969.db2.gz PSIXVJMMNRDNJM-BFHYXJOUSA-N 0 3 311.426 0.646 20 70 DCIDHN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)CN)CC2)cc1 ZINC000161254858 158357486 /nfs/dbraw/zinc/35/74/86/158357486.db2.gz CJLGCRUVZUGILQ-CYBMUJFWSA-N 0 3 319.405 0.646 20 70 DCIDHN COC[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000161040210 416010969 /nfs/dbraw/zinc/01/09/69/416010969.db2.gz RPDFODIEVLZFPQ-CQSZACIVSA-N 0 3 305.378 0.416 20 70 DCIDHN CN(CC1CCN(C)CC1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000159668218 522658273 /nfs/dbraw/zinc/65/82/73/522658273.db2.gz REUXGZNBFPBLLP-CYBMUJFWSA-N 0 3 317.455 0.547 20 70 DCIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000161041436 522806830 /nfs/dbraw/zinc/80/68/30/522806830.db2.gz KPERXPMVONHZSJ-STQMWFEESA-N 0 3 306.362 0.799 20 70 DCIDHN C[C@@H](Cn1cc(Br)cn1)N[C@H]1CCS(=O)(=O)C1 ZINC000161308335 524947426 /nfs/dbraw/zinc/94/74/26/524947426.db2.gz MYFYYYOCJLDRKS-WPRPVWTQSA-N 0 3 322.228 0.811 20 70 DCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000160253924 526485147 /nfs/dbraw/zinc/48/51/47/526485147.db2.gz QDEUOEAQLWWPQP-CYBMUJFWSA-N 0 3 306.362 0.992 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000159657683 528895764 /nfs/dbraw/zinc/89/57/64/528895764.db2.gz ZLHKYLHNTIXDBA-VXGBXAGGSA-N 0 3 300.403 0.001 20 70 DCIDHN COCCCS(=O)(=O)NCCN(C)C[C@H]1CCC[C@@H]1O ZINC000159770063 291236502 /nfs/dbraw/zinc/23/65/02/291236502.db2.gz WHBBAAZHDYZOPR-OLZOCXBDSA-N 0 3 308.444 0.035 20 70 DCIDHN CNC(=O)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159566765 158352972 /nfs/dbraw/zinc/35/29/72/158352972.db2.gz RWURHPVZOSNNFZ-ZFWWWQNUSA-N 0 3 318.421 0.942 20 70 DCIDHN CCCNC(=O)[C@@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159384944 158353272 /nfs/dbraw/zinc/35/32/72/158353272.db2.gz VKDPOICXLQCBEC-TZMCWYRMSA-N 0 3 310.442 0.315 20 70 DCIDHN CCCN1CCC(CNS(=O)(=O)N2CCOCC2)CC1 ZINC000161230657 158357181 /nfs/dbraw/zinc/35/71/81/158357181.db2.gz DLUFFWMJRFTNPO-UHFFFAOYSA-N 0 3 305.444 0.275 20 70 DCIDHN CC(C)c1noc(CCC(=O)NCC2CCN(CCO)CC2)n1 ZINC000160622318 416009464 /nfs/dbraw/zinc/00/94/64/416009464.db2.gz SDZGUFOCEMXGNK-UHFFFAOYSA-N 0 3 324.425 0.946 20 70 DCIDHN CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160697931 527586764 /nfs/dbraw/zinc/58/67/64/527586764.db2.gz LAIKAXHRQUBJRQ-CYBMUJFWSA-N 0 3 313.442 0.502 20 70 DCIDHN CC(C)[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)N(C)C ZINC000161151829 396076406 /nfs/dbraw/zinc/07/64/06/396076406.db2.gz FILRAASFCFGSCP-LBPRGKRZSA-N 0 3 305.444 0.113 20 70 DCIDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(OC)nn2)CC1 ZINC000160074937 158353015 /nfs/dbraw/zinc/35/30/15/158353015.db2.gz ZNCFNCLKTCEDFD-LBPRGKRZSA-N 0 3 307.398 0.241 20 70 DCIDHN Cn1cnc2cc(C(=O)NCCCN3CCC(O)CC3)cnc21 ZINC000160551371 416010034 /nfs/dbraw/zinc/01/00/34/416010034.db2.gz DSHOLZSVNLBIGP-UHFFFAOYSA-N 0 3 317.393 0.545 20 70 DCIDHN CCN(CC)S(=O)(=O)CCNC1CCC(NC(C)=O)CC1 ZINC000161470990 416013443 /nfs/dbraw/zinc/01/34/43/416013443.db2.gz SLOUYIHYGFULMB-UHFFFAOYSA-N 0 3 319.471 0.695 20 70 DCIDHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000161424640 416013538 /nfs/dbraw/zinc/01/35/38/416013538.db2.gz CZQMHMTXCUFXGM-ZDUSSCGKSA-N 0 3 312.395 0.154 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)o1 ZINC000160301351 522257021 /nfs/dbraw/zinc/25/70/21/522257021.db2.gz XUZYBJLQPZUOPH-SECBINFHSA-N 0 3 301.368 0.059 20 70 DCIDHN NC1(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160430624 527127500 /nfs/dbraw/zinc/12/75/00/527127500.db2.gz QSCSEYQOXKPEIJ-JTQLQIEISA-N 0 3 312.753 0.752 20 70 DCIDHN COCCN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160638689 396074521 /nfs/dbraw/zinc/07/45/21/396074521.db2.gz XCVJINSUHIZCOA-HNNXBMFYSA-N 0 3 310.442 0.444 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)o1 ZINC000160301489 522258074 /nfs/dbraw/zinc/25/80/74/522258074.db2.gz XUZYBJLQPZUOPH-VIFPVBQESA-N 0 3 301.368 0.059 20 70 DCIDHN O=C(CN1CCN(c2ccncc2)CC1)NCC(F)(F)F ZINC000161325761 545866593 /nfs/dbraw/zinc/86/65/93/545866593.db2.gz QGCQCSIVZUOVLL-UHFFFAOYSA-N 0 3 302.300 0.882 20 70 DCIDHN CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160637866 396074019 /nfs/dbraw/zinc/07/40/19/396074019.db2.gz DDTKIIIAGSYBRM-GJZGRUSLSA-N 0 3 313.442 0.803 20 70 DCIDHN COCCN(CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161390656 416012238 /nfs/dbraw/zinc/01/22/38/416012238.db2.gz LWNKRQGRECPNDR-CQSZACIVSA-N 0 3 315.439 0.717 20 70 DCIDHN CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000161318638 521709798 /nfs/dbraw/zinc/70/97/98/521709798.db2.gz LIXXGCFUUHQYEL-JTQLQIEISA-N 0 3 301.346 0.642 20 70 DCIDHN CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000161318638 521709801 /nfs/dbraw/zinc/70/98/01/521709801.db2.gz LIXXGCFUUHQYEL-JTQLQIEISA-N 0 3 301.346 0.642 20 70 DCIDHN CNC(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160413278 521865686 /nfs/dbraw/zinc/86/56/86/521865686.db2.gz YTMZAKVHLZSAQG-OAHLLOKOSA-N 0 3 319.405 0.623 20 70 DCIDHN CCNC(=O)N1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159680315 528146592 /nfs/dbraw/zinc/14/65/92/528146592.db2.gz AFJITOXYNIBPDP-ZDUSSCGKSA-N 0 3 313.446 0.772 20 70 DCIDHN CCCCN(C)S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161420147 528364263 /nfs/dbraw/zinc/36/42/63/528364263.db2.gz KBIIWLWGYLHJET-UHFFFAOYSA-N 0 3 307.460 0.257 20 70 DCIDHN COCCCS(=O)(=O)NCCN(C)C[C@@H]1CCC[C@@H]1O ZINC000159769927 291236606 /nfs/dbraw/zinc/23/66/06/291236606.db2.gz WHBBAAZHDYZOPR-STQMWFEESA-N 0 3 308.444 0.035 20 70 DCIDHN CC[C@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)N(C)C ZINC000161338831 291241502 /nfs/dbraw/zinc/24/15/02/291241502.db2.gz ZTQUVOCAHPJNEB-CYBMUJFWSA-N 0 3 303.362 0.739 20 70 DCIDHN CCN1CCCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000159543794 396069718 /nfs/dbraw/zinc/06/97/18/396069718.db2.gz ZMLSEXSAAHPQRT-UHFFFAOYSA-N 0 3 302.382 0.967 20 70 DCIDHN COC[C@@H](O)CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160174625 522412409 /nfs/dbraw/zinc/41/24/09/522412409.db2.gz IPCONLMYUFLPBB-KBMXLJTQSA-N 0 3 321.421 0.956 20 70 DCIDHN CCc1nn(C)c(Cl)c1C(=O)NC[C@](C)(O)CN(C)C ZINC000160100702 522663264 /nfs/dbraw/zinc/66/32/64/522663264.db2.gz OVTLSJHGINJTAC-ZDUSSCGKSA-N 0 3 302.806 0.678 20 70 DCIDHN COC(=O)CCCc1nnc(NC(=O)[C@@H](N)C(C)C)s1 ZINC000161214201 523053998 /nfs/dbraw/zinc/05/39/98/523053998.db2.gz WKOIMVWYZDFMGK-JTQLQIEISA-N 0 3 300.384 0.956 20 70 DCIDHN CCNC(=O)N1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159680441 528135289 /nfs/dbraw/zinc/13/52/89/528135289.db2.gz AFJITOXYNIBPDP-CYBMUJFWSA-N 0 3 313.446 0.772 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000159657951 528896270 /nfs/dbraw/zinc/89/62/70/528896270.db2.gz ZLHKYLHNTIXDBA-NEPJUHHUSA-N 0 3 300.403 0.001 20 70 DCIDHN CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160049509 528988148 /nfs/dbraw/zinc/98/81/48/528988148.db2.gz WHRNFQHKZPPFRV-OLZOCXBDSA-N 0 3 314.430 0.177 20 70 DCIDHN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccncc2)CC1 ZINC000161330720 545866331 /nfs/dbraw/zinc/86/63/31/545866331.db2.gz PBQAJOSIZOLDFL-HOCLYGCPSA-N 0 3 318.421 0.887 20 70 DCIDHN COC(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000218007399 291000736 /nfs/dbraw/zinc/00/07/36/291000736.db2.gz XRHNJZCFZFVDJY-NEPJUHHUSA-N 0 3 304.412 0.438 20 70 DCIDHN CS[C@H](C)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000159674314 291236130 /nfs/dbraw/zinc/23/61/30/291236130.db2.gz NGEQWFVDDAJMSJ-QWHCGFSZSA-N 0 3 302.488 0.921 20 70 DCIDHN CC(C)N(CCNC(=O)NC[C@@H]1CCCS1(=O)=O)C(C)C ZINC000159810608 396071099 /nfs/dbraw/zinc/07/10/99/396071099.db2.gz JNAFGAANJANGKQ-ZDUSSCGKSA-N 0 3 319.471 0.982 20 70 DCIDHN CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160770372 396075458 /nfs/dbraw/zinc/07/54/58/396075458.db2.gz UWYKCCOAGHWCLD-UONOGXRCSA-N 0 3 308.426 0.638 20 70 DCIDHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000161185541 396076260 /nfs/dbraw/zinc/07/62/60/396076260.db2.gz WGWBVRRFSFQPGR-BXUZGUMPSA-N 0 3 308.426 0.853 20 70 DCIDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(OC)nn2)CC1 ZINC000160075068 158353139 /nfs/dbraw/zinc/35/31/39/158353139.db2.gz ZNCFNCLKTCEDFD-GFCCVEGCSA-N 0 3 307.398 0.241 20 70 DCIDHN CC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000161461761 158357594 /nfs/dbraw/zinc/35/75/94/158357594.db2.gz XYCSNSSVOIVRFQ-AWEZNQCLSA-N 0 3 314.407 0.480 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)ccc1F ZINC000160587572 522392591 /nfs/dbraw/zinc/39/25/91/522392591.db2.gz RIIVVEGHAZIUHJ-SNVBAGLBSA-N 0 3 315.370 0.168 20 70 DCIDHN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1N ZINC000161202637 524592229 /nfs/dbraw/zinc/59/22/29/524592229.db2.gz GKWHKDJODXVBTL-LLVKDONJSA-N 0 3 320.393 0.626 20 70 DCIDHN C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCS(=O)(=O)C1 ZINC000161308110 524945502 /nfs/dbraw/zinc/94/55/02/524945502.db2.gz MYFYYYOCJLDRKS-WCBMZHEXSA-N 0 3 322.228 0.811 20 70 DCIDHN CC(=O)N1CCN(C(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159793284 526618560 /nfs/dbraw/zinc/61/85/60/526618560.db2.gz CFJXDDMYUWTESA-QEJZJMRPSA-N 0 3 311.426 0.158 20 70 DCIDHN CN(C)CCN(CCN(C)C)C(=O)NCCc1cscn1 ZINC000159472574 291234951 /nfs/dbraw/zinc/23/49/51/291234951.db2.gz CNKBZBYXIPTTID-UHFFFAOYSA-N 0 3 313.471 0.820 20 70 DCIDHN C[C@H](CN1CCOCC1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000159739278 291236155 /nfs/dbraw/zinc/23/61/55/291236155.db2.gz SLGKYJQYLIBFGA-CYBMUJFWSA-N 0 3 312.435 0.900 20 70 DCIDHN COCCN(C)CCCNC(=O)c1cnc2c(c1)ncn2C ZINC000160110142 396073405 /nfs/dbraw/zinc/07/34/05/396073405.db2.gz UMXATFWTIFVDSG-UHFFFAOYSA-N 0 3 305.382 0.666 20 70 DCIDHN CSC[C@](C)(O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160681570 396075098 /nfs/dbraw/zinc/07/50/98/396075098.db2.gz QOHGZVOYFGZPOB-TZMCWYRMSA-N 0 3 301.456 0.884 20 70 DCIDHN Cn1c2[n-]c(C[N@H+](C3CC3)C3CCCC3)nc2c(=O)n(C)c1=O ZINC000161378985 396076570 /nfs/dbraw/zinc/07/65/70/396076570.db2.gz DJJKQCAKUVTJDR-UHFFFAOYSA-N 0 3 317.393 0.867 20 70 DCIDHN Cn1c2[n-]c(C[N@@H+](C3CC3)C3CCCC3)nc2c(=O)n(C)c1=O ZINC000161378985 396076573 /nfs/dbraw/zinc/07/65/73/396076573.db2.gz DJJKQCAKUVTJDR-UHFFFAOYSA-N 0 3 317.393 0.867 20 70 DCIDHN CN1CCC(=O)Nc2cc(C(=O)N3CCCNCC3)ccc21 ZINC000160861549 416009959 /nfs/dbraw/zinc/00/99/59/416009959.db2.gz DQRVDHDRORAVMO-UHFFFAOYSA-N 0 3 302.378 0.901 20 70 DCIDHN CCOC[C@@H](O)CN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311707 520103436 /nfs/dbraw/zinc/10/34/36/520103436.db2.gz PKAVNGXIBNNQPO-YPMHNXCESA-N 0 3 316.423 0.643 20 70 DCIDHN CN1CCC(NC(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000161076897 523771279 /nfs/dbraw/zinc/77/12/79/523771279.db2.gz ZSNVMRWPNPYREH-UHFFFAOYSA-N 0 3 304.394 0.802 20 70 DCIDHN C[C@@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000161343867 524989267 /nfs/dbraw/zinc/98/92/67/524989267.db2.gz ZHIIXEWNXHMSOV-SSDOTTSWSA-N 0 3 301.343 0.552 20 70 DCIDHN Cc1cc(F)ccc1S(=O)(=O)NC[C@@](C)(O)CN(C)C ZINC000161436162 525000028 /nfs/dbraw/zinc/00/00/28/525000028.db2.gz CZKRAHVRZBAZMZ-CYBMUJFWSA-N 0 3 304.387 0.725 20 70 DCIDHN COc1cccc(O[C@H](C)CNC(=O)C[C@H]2CNCCO2)c1 ZINC000161131153 526239485 /nfs/dbraw/zinc/23/94/85/526239485.db2.gz WPJUHLJNQMQCHE-DOMZBBRYSA-N 0 3 308.378 0.957 20 70 DCIDHN Cn1cc(C(=O)NCC2CCN(CCn3ccnc3)CC2)cn1 ZINC000159841937 527162148 /nfs/dbraw/zinc/16/21/48/527162148.db2.gz OOVGMXXTXFUXDG-UHFFFAOYSA-N 0 3 316.409 0.759 20 70 DCIDHN CC(C)(C(N)=O)c1ccc(NC(=O)C[C@H]2CNCCO2)cc1 ZINC000160381659 527544371 /nfs/dbraw/zinc/54/43/71/527544371.db2.gz RNMHNUJGZOJOSG-ZDUSSCGKSA-N 0 3 305.378 0.767 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000159657809 528894495 /nfs/dbraw/zinc/89/44/95/528894495.db2.gz ZLHKYLHNTIXDBA-RYUDHWBXSA-N 0 3 300.403 0.001 20 70 DCIDHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CN(C)CCO1 ZINC000160077956 545860967 /nfs/dbraw/zinc/86/09/67/545860967.db2.gz MPCUHGWSTBPENO-STQMWFEESA-N 0 3 324.429 0.285 20 70 DCIDHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CN(C)CCO1 ZINC000160078357 545861702 /nfs/dbraw/zinc/86/17/02/545861702.db2.gz MPCUHGWSTBPENO-CHWSQXEVSA-N 0 3 324.429 0.285 20 70 DCIDHN Cc1conc1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000160350423 545862740 /nfs/dbraw/zinc/86/27/40/545862740.db2.gz IDWJUGCRDNKZPK-UHFFFAOYSA-N 0 3 315.333 0.665 20 70 DCIDHN CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159865175 396071243 /nfs/dbraw/zinc/07/12/43/396071243.db2.gz VKLJUNJTVLGUEJ-UPJWGTAASA-N 0 3 317.455 0.736 20 70 DCIDHN CC[C@@H]1CN(Cc2nsc(N(C)C)n2)CCN1C[C@@H](C)O ZINC000159913583 396071523 /nfs/dbraw/zinc/07/15/23/396071523.db2.gz LCKAJTNTIKRUOK-VXGBXAGGSA-N 0 3 313.471 0.881 20 70 DCIDHN CCCCNC(=O)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161375246 396076091 /nfs/dbraw/zinc/07/60/91/396076091.db2.gz SPSWSAVWCULCFS-UHFFFAOYSA-N 0 3 319.409 0.830 20 70 DCIDHN COCCNCC(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000160959330 158355385 /nfs/dbraw/zinc/35/53/85/158355385.db2.gz QAVUTGAEIMZVHZ-UHFFFAOYSA-N 0 3 308.382 0.632 20 70 DCIDHN O=C(CNCC1CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161009135 158356216 /nfs/dbraw/zinc/35/62/16/158356216.db2.gz UBVXWVBMXPQVIA-UHFFFAOYSA-N 0 3 319.380 0.996 20 70 DCIDHN CNC(=O)COc1cccc(CC(=O)NC2CCN(C)CC2)c1 ZINC000161075482 524075113 /nfs/dbraw/zinc/07/51/13/524075113.db2.gz OTZFIWYJXXHFMQ-UHFFFAOYSA-N 0 3 319.405 0.564 20 70 DCIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccccc1F ZINC000161414455 534866273 /nfs/dbraw/zinc/86/62/73/534866273.db2.gz MHRFIWVOSQRWIA-UHFFFAOYSA-N 0 3 316.398 0.808 20 70 DCIDHN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCCCN1 ZINC000160461584 527170700 /nfs/dbraw/zinc/17/07/00/527170700.db2.gz IOUJJNOLKYMXCH-OCCSQVGLSA-N 0 3 315.373 0.972 20 70 DCIDHN CN(C)[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159634988 291235251 /nfs/dbraw/zinc/23/52/51/291235251.db2.gz XKIFYJRXLDTOAN-HUUCEWRRSA-N 0 3 303.406 0.802 20 70 DCIDHN CN(C)CCn1ccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000161089291 416011896 /nfs/dbraw/zinc/01/18/96/416011896.db2.gz NBQHEPZVAUJXDS-GFCCVEGCSA-N 0 3 322.413 0.564 20 70 DCIDHN CCOC[C@H](O)CN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311580 520160467 /nfs/dbraw/zinc/16/04/67/520160467.db2.gz PKAVNGXIBNNQPO-DGCLKSJQSA-N 0 3 316.423 0.643 20 70 DCIDHN CCN1CCCN(C(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000159831148 396071786 /nfs/dbraw/zinc/07/17/86/396071786.db2.gz ROOLWZPFZYGWRX-OAHLLOKOSA-N 0 3 311.474 0.360 20 70 DCIDHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CN)CC1 ZINC000161251595 158357111 /nfs/dbraw/zinc/35/71/11/158357111.db2.gz VNBAOAREEHBQHP-ZDUSSCGKSA-N 0 3 305.378 0.392 20 70 DCIDHN CN(C)[C@@H](CNC(=O)CNC1(C(N)=O)CC1)c1ccccc1 ZINC000160681122 416009888 /nfs/dbraw/zinc/00/98/88/416009888.db2.gz QXGAJDTZXWOWCA-ZDUSSCGKSA-N 0 3 304.394 0.013 20 70 DCIDHN CNC(=O)c1cccc(CCNC(=O)[C@H](N)CCSC)c1 ZINC000161421122 416014036 /nfs/dbraw/zinc/01/40/36/416014036.db2.gz IGGRUOMIBIFXGR-CYBMUJFWSA-N 0 3 309.435 0.785 20 70 DCIDHN CCO[C@H]1C[C@H](O)C12CCN(C(=O)CNCCOC)CC2 ZINC000160750909 279937365 /nfs/dbraw/zinc/93/73/65/279937365.db2.gz XXMOXQCNDCVOJJ-STQMWFEESA-N 0 3 300.399 0.001 20 70 DCIDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000161466544 521856059 /nfs/dbraw/zinc/85/60/59/521856059.db2.gz VWHOINVFMJHNCH-LBPRGKRZSA-N 0 3 321.830 0.467 20 70 DCIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1cccc(F)c1 ZINC000161402690 534866561 /nfs/dbraw/zinc/86/65/61/534866561.db2.gz FCJRMYUNDBVNDN-UHFFFAOYSA-N 0 3 316.398 0.808 20 70 DCIDHN COc1cccc(O[C@@H](C)CNC(=O)C[C@H]2CNCCO2)c1 ZINC000161131035 526237645 /nfs/dbraw/zinc/23/76/45/526237645.db2.gz WPJUHLJNQMQCHE-WFASDCNBSA-N 0 3 308.378 0.957 20 70 DCIDHN Cc1nn(C)c(=O)c(C(=O)NCCN2CCC[C@H](C)C2)c1C ZINC000159543837 527597678 /nfs/dbraw/zinc/59/76/78/527597678.db2.gz BOTLWAFABGVCEP-NSHDSACASA-N 0 3 306.410 0.859 20 70 DCIDHN CN1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000160555276 158354406 /nfs/dbraw/zinc/35/44/06/158354406.db2.gz VTINFXVIGATESQ-YESZJQIVSA-N 0 3 317.433 0.832 20 70 DCIDHN CN(CCN1C(=O)NC2(CCCC2)C1=O)C[C@@H]1CCC[C@@H]1O ZINC000159500435 416006406 /nfs/dbraw/zinc/00/64/06/416006406.db2.gz AZSFCIJQVGXUTD-STQMWFEESA-N 0 3 309.410 0.944 20 70 DCIDHN CCOCCO[C@@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160713147 416009816 /nfs/dbraw/zinc/00/98/16/416009816.db2.gz MACQZAZZSBKCEA-ZDUSSCGKSA-N 0 3 302.415 0.249 20 70 DCIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160996890 416010931 /nfs/dbraw/zinc/01/09/31/416010931.db2.gz OTYHPZGIGHWTSX-CMPLNLGQSA-N 0 3 320.422 0.920 20 70 DCIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(=O)C1 ZINC000159933344 524633190 /nfs/dbraw/zinc/63/31/90/524633190.db2.gz JRHFOGBGZRKFCJ-ZFWWWQNUSA-N 0 3 316.405 0.648 20 70 DCIDHN COc1ccsc1S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000161471643 524881768 /nfs/dbraw/zinc/88/17/68/524881768.db2.gz RLQLCBLYLVJJEZ-LLVKDONJSA-N 0 3 308.425 0.348 20 70 DCIDHN NC(=O)NC1(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000159916818 526929211 /nfs/dbraw/zinc/92/92/11/526929211.db2.gz RQSLJOSARCZIQQ-UHFFFAOYSA-N 0 3 316.405 0.752 20 70 DCIDHN CC(C)CCC(=O)NCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160018536 527697548 /nfs/dbraw/zinc/69/75/48/527697548.db2.gz UCCJWZVNNQEFBS-CQSZACIVSA-N 0 3 313.442 0.502 20 70 DCIDHN CCN(CC)C(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159394807 396068028 /nfs/dbraw/zinc/06/80/28/396068028.db2.gz VKDGRIYTQFWXCL-CQSZACIVSA-N 0 3 310.442 0.269 20 70 DCIDHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCNCC1 ZINC000159449848 396068636 /nfs/dbraw/zinc/06/86/36/396068636.db2.gz GMBBPEZONMQFRW-SNVBAGLBSA-N 0 3 301.350 0.113 20 70 DCIDHN O=C(NC[C@H](O)COCC1CC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000160691044 396075494 /nfs/dbraw/zinc/07/54/94/396075494.db2.gz CNXHBFBWUYWIJI-CABCVRRESA-N 0 3 311.426 0.557 20 70 DCIDHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CN)CC1 ZINC000161251719 158357391 /nfs/dbraw/zinc/35/73/91/158357391.db2.gz VNBAOAREEHBQHP-CYBMUJFWSA-N 0 3 305.378 0.392 20 70 DCIDHN CCc1cccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000161510166 521784416 /nfs/dbraw/zinc/78/44/16/521784416.db2.gz UWOCZTSNEQJJGI-AWEZNQCLSA-N 0 3 300.424 0.840 20 70 DCIDHN CC[C@H](C)[C@H](N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160719665 521957564 /nfs/dbraw/zinc/95/75/64/521957564.db2.gz LMEUBJDZQGDCEW-FZMZJTMJSA-N 0 3 323.397 0.054 20 70 DCIDHN Cc1ccc(NC(=O)C2(N)CC2)cc1S(=O)(=O)NC1CC1 ZINC000160093271 525021064 /nfs/dbraw/zinc/02/10/64/525021064.db2.gz VHDJFVXMMANRLT-UHFFFAOYSA-N 0 3 309.391 0.866 20 70 DCIDHN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1C[C@H](O)CN1 ZINC000160396650 527047946 /nfs/dbraw/zinc/04/79/46/527047946.db2.gz RVMACTPNFPSLDB-RWMBFGLXSA-N 0 3 323.780 0.284 20 70 DCIDHN CN(C)S(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)co1 ZINC000160246308 237082855 /nfs/dbraw/zinc/08/28/55/237082855.db2.gz DXTBHDNVLQFJBA-UHFFFAOYSA-N 0 3 315.395 0.354 20 70 DCIDHN CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160637611 396074562 /nfs/dbraw/zinc/07/45/62/396074562.db2.gz DDTKIIIAGSYBRM-CABCVRRESA-N 0 3 313.442 0.803 20 70 DCIDHN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160742316 396074901 /nfs/dbraw/zinc/07/49/01/396074901.db2.gz DUSDWIQAIJURSE-KGLIPLIRSA-N 0 3 308.426 0.637 20 70 DCIDHN COc1ccccc1OCC(=O)NCC1CCN(CCO)CC1 ZINC000160699115 416009603 /nfs/dbraw/zinc/00/96/03/416009603.db2.gz SHHKXSACHPEELI-UHFFFAOYSA-N 0 3 322.405 0.895 20 70 DCIDHN CN(C)CCn1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000161089421 416010335 /nfs/dbraw/zinc/01/03/35/416010335.db2.gz NBQHEPZVAUJXDS-LBPRGKRZSA-N 0 3 322.413 0.564 20 70 DCIDHN CSCC[C@H](N)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000160994243 416011718 /nfs/dbraw/zinc/01/17/18/416011718.db2.gz OTYHPZGIGHWTSX-PWSUYJOCSA-N 0 3 320.422 0.920 20 70 DCIDHN COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1C ZINC000161421352 416013607 /nfs/dbraw/zinc/01/36/07/416013607.db2.gz NMTXIQQWSNAGDF-CQSZACIVSA-N 0 3 316.423 0.595 20 70 DCIDHN CCN1CCCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000159805909 279287529 /nfs/dbraw/zinc/28/75/29/279287529.db2.gz HZYJAQBIBHZVPJ-ZDUSSCGKSA-N 0 3 306.414 0.639 20 70 DCIDHN CCN1CCCN(C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000159622000 521608555 /nfs/dbraw/zinc/60/85/55/521608555.db2.gz VGINEOJRXPVPTP-UHFFFAOYSA-N 0 3 319.409 0.549 20 70 DCIDHN C[C@@H](N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795700 524988582 /nfs/dbraw/zinc/98/85/82/524988582.db2.gz ALVOJMIHJABUAV-UKRRQHHQSA-N 0 3 316.405 0.283 20 70 DCIDHN Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2F)c1 ZINC000159777036 526249129 /nfs/dbraw/zinc/24/91/29/526249129.db2.gz QQQOOXWDOFALKK-DGCLKSJQSA-N 0 3 304.325 0.981 20 70 DCIDHN CN(C(=O)C[C@@H]1CNCCO1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160962251 237092166 /nfs/dbraw/zinc/09/21/66/237092166.db2.gz WWMZGQPNYOLVKB-AGIUHOORSA-N 0 3 318.439 0.179 20 70 DCIDHN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCN(CC)CC1)CC2 ZINC000159865090 396071155 /nfs/dbraw/zinc/07/11/55/396071155.db2.gz PCJBAGZNGAQATG-CYBMUJFWSA-N 0 3 320.441 0.893 20 70 DCIDHN CCN1CCCN(C(=O)NCC2CCN(C(C)=O)CC2)CC1 ZINC000159826908 396071581 /nfs/dbraw/zinc/07/15/81/396071581.db2.gz BFMOOPOIBMLKMW-UHFFFAOYSA-N 0 3 310.442 0.982 20 70 DCIDHN O=C(NC[C@H](O)COCC1CC1)N[C@H]1CCN(CC2CC2)C1 ZINC000160690909 396074847 /nfs/dbraw/zinc/07/48/47/396074847.db2.gz CNXHBFBWUYWIJI-GJZGRUSLSA-N 0 3 311.426 0.557 20 70 DCIDHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161190081 158355950 /nfs/dbraw/zinc/35/59/50/158355950.db2.gz ZZWLWOLLCGCKNI-QWHCGFSZSA-N 0 3 306.414 0.576 20 70 DCIDHN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CN)CC2)cc1 ZINC000161254726 158356876 /nfs/dbraw/zinc/35/68/76/158356876.db2.gz CJLGCRUVZUGILQ-ZDUSSCGKSA-N 0 3 319.405 0.646 20 70 DCIDHN CCc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000161480191 158357163 /nfs/dbraw/zinc/35/71/63/158357163.db2.gz IBFHKNHGJWEJQI-CQSZACIVSA-N 0 3 300.424 0.840 20 70 DCIDHN CC(C)[C@@H](C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)N(C)C ZINC000159515596 416006646 /nfs/dbraw/zinc/00/66/46/416006646.db2.gz VHVXNBLVZVJDGQ-UPJWGTAASA-N 0 3 319.471 0.407 20 70 DCIDHN CC[C@@H](O)CCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000160942950 416011821 /nfs/dbraw/zinc/01/18/21/416011821.db2.gz HPIZRUYSWVLIKP-CQSZACIVSA-N 0 3 300.447 0.473 20 70 DCIDHN Cc1nn(C)c(=O)c(C(=O)NCCN2CCC[C@@H](C)C2)c1C ZINC000159543987 527597864 /nfs/dbraw/zinc/59/78/64/527597864.db2.gz BOTLWAFABGVCEP-LLVKDONJSA-N 0 3 306.410 0.859 20 70 DCIDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000161410953 237094505 /nfs/dbraw/zinc/09/45/05/237094505.db2.gz ADOARXXQBGICTL-CYBMUJFWSA-N 0 3 304.387 0.558 20 70 DCIDHN CC(C)N(CCNC(=O)NC[C@H]1CCCS1(=O)=O)C(C)C ZINC000159810718 396071534 /nfs/dbraw/zinc/07/15/34/396071534.db2.gz JNAFGAANJANGKQ-CYBMUJFWSA-N 0 3 319.471 0.982 20 70 DCIDHN C[C@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)CN1CCOCC1 ZINC000160664687 396074586 /nfs/dbraw/zinc/07/45/86/396074586.db2.gz SCIQRRGLQWTJEU-ZBFHGGJFSA-N 0 3 324.469 0.738 20 70 DCIDHN O=C(NCC1CCN(CCO)CC1)c1ncoc1[C@@H]1CCCO1 ZINC000160577390 158354236 /nfs/dbraw/zinc/35/42/36/158354236.db2.gz OSRXOTDHIAMLHA-ZDUSSCGKSA-N 0 3 323.393 0.960 20 70 DCIDHN O=S(=O)(C[C@H]1CCCCO1)NCC1CCN(CCO)CC1 ZINC000161387750 237095950 /nfs/dbraw/zinc/09/59/50/237095950.db2.gz KRWRHHDQUROWRZ-CQSZACIVSA-N 0 3 320.455 0.179 20 70 DCIDHN CN(C)CCN1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160193413 291237641 /nfs/dbraw/zinc/23/76/41/291237641.db2.gz QSKJQVVMUNUGRJ-MRXNPFEDSA-N 0 3 312.458 0.569 20 70 DCIDHN CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160770466 396075386 /nfs/dbraw/zinc/07/53/86/396075386.db2.gz UWYKCCOAGHWCLD-KGLIPLIRSA-N 0 3 308.426 0.638 20 70 DCIDHN CN(C)CCn1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)n1 ZINC000161044754 416011360 /nfs/dbraw/zinc/01/13/60/416011360.db2.gz YMMLUEKLLCVNBQ-GFCCVEGCSA-N 0 3 302.382 0.842 20 70 DCIDHN CC(C)NC(=O)c1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000160100981 519716758 /nfs/dbraw/zinc/71/67/58/519716758.db2.gz PMBNUEUNDQHELI-KRWDZBQOSA-N 0 3 321.421 0.867 20 70 DCIDHN CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000161318508 521717345 /nfs/dbraw/zinc/71/73/45/521717345.db2.gz LIXXGCFUUHQYEL-SNVBAGLBSA-N 0 3 301.346 0.642 20 70 DCIDHN CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000161318508 521717346 /nfs/dbraw/zinc/71/73/46/521717346.db2.gz LIXXGCFUUHQYEL-SNVBAGLBSA-N 0 3 301.346 0.642 20 70 DCIDHN Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2F)c1 ZINC000159776782 526249104 /nfs/dbraw/zinc/24/91/04/526249104.db2.gz QQQOOXWDOFALKK-WCQYABFASA-N 0 3 304.325 0.981 20 70 DCIDHN NC(=O)Nc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160278800 526950719 /nfs/dbraw/zinc/95/07/19/526950719.db2.gz GBFSQSQXWDDZJH-CQSZACIVSA-N 0 3 320.393 0.754 20 70 DCIDHN C[C@@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CN(C)CCO1 ZINC000160238620 545863674 /nfs/dbraw/zinc/86/36/74/545863674.db2.gz MUSSECHFTQSRCT-TZMCWYRMSA-N 0 3 324.429 0.285 20 70 DCIDHN CN(C)[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159635246 291235411 /nfs/dbraw/zinc/23/54/11/291235411.db2.gz XKIFYJRXLDTOAN-LSDHHAIUSA-N 0 3 303.406 0.802 20 70 DCIDHN CC1=C(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCO1 ZINC000159804551 396070579 /nfs/dbraw/zinc/07/05/79/396070579.db2.gz DGBODVAATWOUIT-HNNXBMFYSA-N 0 3 321.421 0.836 20 70 DCIDHN COCCNCC(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000160946242 158356271 /nfs/dbraw/zinc/35/62/71/158356271.db2.gz JGRKQUPCLUOQAS-UHFFFAOYSA-N 0 3 307.394 0.283 20 70 DCIDHN COC(=O)c1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160666125 416010046 /nfs/dbraw/zinc/01/00/46/416010046.db2.gz RMYPWKAIGFTLPV-UHFFFAOYSA-N 0 3 320.389 0.907 20 70 DCIDHN COCCN(CC[C@H]1CCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161390962 416013726 /nfs/dbraw/zinc/01/37/26/416013726.db2.gz KETIIOOQQGUKPB-ZIAGYGMSSA-N 0 3 304.456 0.606 20 70 DCIDHN C[C@@H]1C[C@@H](NC(=O)NCC2(CO)CCOCC2)CN1C1CC1 ZINC000159527330 533615859 /nfs/dbraw/zinc/61/58/59/533615859.db2.gz UDNDMGDWUKPVQS-CHWSQXEVSA-N 0 3 311.426 0.700 20 70 DCIDHN CCNC(=O)N1CC[C@H](NC(=O)N2CCCN(CC)CC2)C1 ZINC000159992084 396072344 /nfs/dbraw/zinc/07/23/44/396072344.db2.gz QSZDNITXBMYULU-ZDUSSCGKSA-N 0 3 311.430 0.527 20 70 DCIDHN CCCNC(=O)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161328671 396076155 /nfs/dbraw/zinc/07/61/55/396076155.db2.gz GASYMANBRGTKGA-UHFFFAOYSA-N 0 3 305.382 0.439 20 70 DCIDHN COCCN(C)CCCNC(=O)NCc1ccccc1CO ZINC000161143591 396076355 /nfs/dbraw/zinc/07/63/55/396076355.db2.gz POZSMXWCTGDOIL-UHFFFAOYSA-N 0 3 309.410 0.946 20 70 DCIDHN CC(C)(C)CC(=O)NCC(=O)NCC1CCN(CCO)CC1 ZINC000160725345 416010117 /nfs/dbraw/zinc/01/01/17/416010117.db2.gz DGWLWRVRNMQPAX-UHFFFAOYSA-N 0 3 313.442 0.359 20 70 DCIDHN Cc1cc(F)c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)cc1F ZINC000161446252 301297404 /nfs/dbraw/zinc/29/74/04/301297404.db2.gz WVZPKJSAYZGFPP-CYBMUJFWSA-N 0 3 322.377 0.864 20 70 DCIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1cccs1 ZINC000161408298 534866049 /nfs/dbraw/zinc/86/60/49/534866049.db2.gz YRTMMVODKGYTIW-UHFFFAOYSA-N 0 3 304.437 0.731 20 70 DCIDHN CSCC[C@H](N)C(=O)NCCCNC(=O)c1occc1C ZINC000161448212 525581370 /nfs/dbraw/zinc/58/13/70/525581370.db2.gz YTLQWAKJXQUXPX-NSHDSACASA-N 0 3 313.423 0.905 20 70 DCIDHN CN(CC1CC1)C(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159429376 545859151 /nfs/dbraw/zinc/85/91/51/545859151.db2.gz SWWJVXJDIMSREC-HNNXBMFYSA-N 0 3 322.453 0.269 20 70 DCIDHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000161185425 237090760 /nfs/dbraw/zinc/09/07/60/237090760.db2.gz WGWBVRRFSFQPGR-FZMZJTMJSA-N 0 3 308.426 0.853 20 70 DCIDHN CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000161319315 396076428 /nfs/dbraw/zinc/07/64/28/396076428.db2.gz QXEDXYKKORCVNZ-GFCCVEGCSA-N 0 3 305.382 0.438 20 70 DCIDHN CCOCCO[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160713299 416009834 /nfs/dbraw/zinc/00/98/34/416009834.db2.gz MACQZAZZSBKCEA-CYBMUJFWSA-N 0 3 302.415 0.249 20 70 DCIDHN CC(C)[C@@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)N(C)C ZINC000161352754 416013324 /nfs/dbraw/zinc/01/33/24/416013324.db2.gz GENNHZHWIJUMFH-LBPRGKRZSA-N 0 3 305.444 0.113 20 70 DCIDHN Cc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1C ZINC000161431089 416013733 /nfs/dbraw/zinc/01/37/33/416013733.db2.gz JEBNSGQVFRVYSJ-AWEZNQCLSA-N 0 3 300.424 0.894 20 70 DCIDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000161431962 416014062 /nfs/dbraw/zinc/01/40/62/416014062.db2.gz JGUPNFGCQAQSAY-GFCCVEGCSA-N 0 3 308.350 0.556 20 70 DCIDHN O=C(CNC[C@H]1CCCO1)NCCCOC[C@@H]1CCOC1 ZINC000160584996 295520058 /nfs/dbraw/zinc/52/00/58/295520058.db2.gz URQSRUDPPOHZQP-UONOGXRCSA-N 0 3 300.399 0.314 20 70 DCIDHN CC[C@@H](C)[C@H](N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000160719534 522370322 /nfs/dbraw/zinc/37/03/22/522370322.db2.gz LMEUBJDZQGDCEW-RISCZKNCSA-N 0 3 323.397 0.054 20 70 DCIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000161041552 522806277 /nfs/dbraw/zinc/80/62/77/522806277.db2.gz KPERXPMVONHZSJ-QWHCGFSZSA-N 0 3 306.362 0.799 20 70 DCIDHN O=C(Cc1cn2ccccc2n1)NC[C@@H](O)CN1CCCCC1 ZINC000160396146 527321398 /nfs/dbraw/zinc/32/13/98/527321398.db2.gz ZTCFBOVCMVAJPH-OAHLLOKOSA-N 0 3 316.405 0.840 20 70 DCIDHN CCN1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000161501952 545866918 /nfs/dbraw/zinc/86/69/18/545866918.db2.gz KLSOJFCYLRKPFY-GJZGRUSLSA-N 0 3 310.442 0.981 20 70 DCIDHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCNCC1 ZINC000159449716 396068525 /nfs/dbraw/zinc/06/85/25/396068525.db2.gz GMBBPEZONMQFRW-JTQLQIEISA-N 0 3 301.350 0.113 20 70 DCIDHN CCN1CCCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000159527432 396068852 /nfs/dbraw/zinc/06/88/52/396068852.db2.gz FFZNALICOIVUHB-UHFFFAOYSA-N 0 3 312.458 0.834 20 70 DCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1n[nH]c2c1CCCC2 ZINC000160396852 396073876 /nfs/dbraw/zinc/07/38/76/396073876.db2.gz RJVXWNYWDMRBEX-GFCCVEGCSA-N 0 3 306.410 0.865 20 70 DCIDHN CCOCCN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160750074 396074862 /nfs/dbraw/zinc/07/48/62/396074862.db2.gz KLLYAKHRVSXTEZ-MRXNPFEDSA-N 0 3 324.469 0.834 20 70 DCIDHN COCCN(C)CCCNC(=O)c1ccnc(-n2cccn2)c1 ZINC000159800781 523586487 /nfs/dbraw/zinc/58/64/87/523586487.db2.gz VDRJUMIXCPLBHD-UHFFFAOYSA-N 0 3 317.393 0.965 20 70 DCIDHN CSCC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159556117 525583861 /nfs/dbraw/zinc/58/38/61/525583861.db2.gz KJHLFXRFUMUDNZ-STQMWFEESA-N 0 3 307.419 0.989 20 70 DCIDHN CCN1CCCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000159827219 396071819 /nfs/dbraw/zinc/07/18/19/396071819.db2.gz QQOCBMRATOIUIM-UHFFFAOYSA-N 0 3 310.398 0.263 20 70 DCIDHN CC(C)CNC(=O)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161328289 396076173 /nfs/dbraw/zinc/07/61/73/396076173.db2.gz XJENUFVYSLSLJM-UHFFFAOYSA-N 0 3 319.409 0.685 20 70 DCIDHN CC(C)[C@H](C)NC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159375973 276014533 /nfs/dbraw/zinc/01/45/33/276014533.db2.gz XZZSVNDHBUBFNX-DZGCQCFKSA-N 0 3 324.469 0.561 20 70 DCIDHN CC(=O)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)n(C)c1 ZINC000160551276 518266863 /nfs/dbraw/zinc/26/68/63/518266863.db2.gz GNKHFLAZLJAOCH-CQSZACIVSA-N 0 3 307.394 0.804 20 70 DCIDHN CCCN1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000160394296 519848536 /nfs/dbraw/zinc/84/85/36/519848536.db2.gz IXRRIPCQFISTQL-UHFFFAOYSA-N 0 3 310.398 0.261 20 70 DCIDHN CCOC[C@@H](O)CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311427 520103877 /nfs/dbraw/zinc/10/38/77/520103877.db2.gz PKAVNGXIBNNQPO-AAEUAGOBSA-N 0 3 316.423 0.643 20 70 DCIDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000161434415 521884375 /nfs/dbraw/zinc/88/43/75/521884375.db2.gz NDAJJEDZMXXFSB-GFCCVEGCSA-N 0 3 308.350 0.556 20 70 DCIDHN Cc1conc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000160912246 534752957 /nfs/dbraw/zinc/75/29/57/534752957.db2.gz UHNMRGNYOPDZMV-GFCCVEGCSA-N 0 3 324.381 0.491 20 70 DCIDHN CN(C)Cc1ccc(C(=O)NCCCNS(C)(=O)=O)cc1 ZINC000159609765 291235310 /nfs/dbraw/zinc/23/53/10/291235310.db2.gz UYNRZEVWFRXTAS-UHFFFAOYSA-N 0 3 313.423 0.417 20 70 DCIDHN CCC[C@H](C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1)N(C)C ZINC000160701995 158356100 /nfs/dbraw/zinc/35/61/00/158356100.db2.gz YYHYFMIOJNQLKS-CYBMUJFWSA-N 0 3 308.430 0.488 20 70 DCIDHN Cc1nn(C)c(C)c1CCC(=O)NCC1CCN(CCO)CC1 ZINC000160597400 416009746 /nfs/dbraw/zinc/00/97/46/416009746.db2.gz CMSBZHNSJGVNRJ-UHFFFAOYSA-N 0 3 322.453 0.790 20 70 DCIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000159805760 279286660 /nfs/dbraw/zinc/28/66/60/279286660.db2.gz HZYJAQBIBHZVPJ-CYBMUJFWSA-N 0 3 306.414 0.639 20 70 DCIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(=O)C1 ZINC000159933220 525013604 /nfs/dbraw/zinc/01/36/04/525013604.db2.gz JRHFOGBGZRKFCJ-HIFRSBDPSA-N 0 3 316.405 0.648 20 70 DCIDHN C[C@H](NCCO)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159718085 525354566 /nfs/dbraw/zinc/35/45/66/525354566.db2.gz SZDHCPQESSMLJW-LBPRGKRZSA-N 0 3 314.407 0.350 20 70 DCIDHN Cc1nn(C)c(=O)c(C(=O)NCCN2CCC(C)CC2)c1C ZINC000159519129 527598508 /nfs/dbraw/zinc/59/85/08/527598508.db2.gz DPTJAQQJXTYPKS-UHFFFAOYSA-N 0 3 306.410 0.859 20 70 DCIDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccncc2)CC1 ZINC000161330834 545866154 /nfs/dbraw/zinc/86/61/54/545866154.db2.gz PBQAJOSIZOLDFL-ZBFHGGJFSA-N 0 3 318.421 0.887 20 70 DCIDHN C[C@@H]1CN(C(=O)CN2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000161391357 545866782 /nfs/dbraw/zinc/86/67/82/545866782.db2.gz PRSASGZAORLCRZ-GASCZTMLSA-N 0 3 318.421 0.839 20 70 DCIDHN O=C(Cc1cn2ccsc2n1)NC[C@@H](O)CN1CCCCC1 ZINC000160380287 237078832 /nfs/dbraw/zinc/07/88/32/237078832.db2.gz GRPBAGOLMSZXBA-CYBMUJFWSA-N 0 3 322.434 0.901 20 70 DCIDHN CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161315863 396076145 /nfs/dbraw/zinc/07/61/45/396076145.db2.gz AUKBGGIBJWHSMJ-UHFFFAOYSA-N 0 3 319.409 0.828 20 70 DCIDHN O=C(CNC(=O)c1cccnc1)NC1CCN(C2CC2)CC1 ZINC000161230750 158357033 /nfs/dbraw/zinc/35/70/33/158357033.db2.gz OYLYGNFINYMXLG-UHFFFAOYSA-N 0 3 302.378 0.554 20 70 DCIDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000161434548 416013972 /nfs/dbraw/zinc/01/39/72/416013972.db2.gz NDAJJEDZMXXFSB-LBPRGKRZSA-N 0 3 308.350 0.556 20 70 DCIDHN COC[C@@H](O)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000159943889 522412201 /nfs/dbraw/zinc/41/22/01/522412201.db2.gz OHIWVMPHWWVIET-KBMXLJTQSA-N 0 3 321.421 0.813 20 70 DCIDHN CCc1nn(C)c(Cl)c1C(=O)NC[C@@](C)(O)CN(C)C ZINC000160100843 522663661 /nfs/dbraw/zinc/66/36/61/522663661.db2.gz OVTLSJHGINJTAC-CYBMUJFWSA-N 0 3 302.806 0.678 20 70 DCIDHN C[C@@H](N)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161488703 524986728 /nfs/dbraw/zinc/98/67/28/524986728.db2.gz ABTFNAGQBCYXOJ-XCBNKYQSSA-N 0 3 300.742 0.608 20 70 DCIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC(N)=O ZINC000159540411 525013196 /nfs/dbraw/zinc/01/31/96/525013196.db2.gz YEVJSCVFWCOHHR-OCCSQVGLSA-N 0 3 304.394 0.682 20 70 DCIDHN O=S(=O)(NCC1CCN(CCO)CC1)N1CCCCC1 ZINC000161384179 534866498 /nfs/dbraw/zinc/86/64/98/534866498.db2.gz CKMZXCMUQGLXRU-UHFFFAOYSA-N 0 3 305.444 0.011 20 70 DCIDHN Cc1ccoc1C(=O)NCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000160383912 525782566 /nfs/dbraw/zinc/78/25/66/525782566.db2.gz ORWXDRSWXLESPJ-ZDUSSCGKSA-N 0 3 323.393 0.593 20 70 DCIDHN CCCN1CCCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000160360783 283323562 /nfs/dbraw/zinc/32/35/62/283323562.db2.gz LNIXELVEWDLWFO-UHFFFAOYSA-N 0 3 311.426 0.570 20 70 DCIDHN Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161384344 534207733 /nfs/dbraw/zinc/20/77/33/534207733.db2.gz QNCPFHSLMLQZJU-UHFFFAOYSA-N 0 3 312.435 0.978 20 70 DCIDHN C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160662708 525254578 /nfs/dbraw/zinc/25/45/78/525254578.db2.gz IQASJHMGYIFALS-GXTWGEPZSA-N 0 3 323.393 0.361 20 70 DCIDHN O=C(Cn1ncc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160242246 527425823 /nfs/dbraw/zinc/42/58/23/527425823.db2.gz DWWCXVXMXGSRSV-OAHLLOKOSA-N 0 3 316.405 0.999 20 70 DCIDHN Cn1nnc2cc(C(=O)NC[C@@H](O)CN3CCCCC3)ccc21 ZINC000160539007 527644974 /nfs/dbraw/zinc/64/49/74/527644974.db2.gz LXICBCMZRLMENZ-CYBMUJFWSA-N 0 3 317.393 0.545 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000159787170 545861744 /nfs/dbraw/zinc/86/17/44/545861744.db2.gz YHOXLOQPZFQUPT-KBPBESRZSA-N 0 3 300.447 0.687 20 70 DCIDHN CN(C)CCn1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)cn1 ZINC000161489086 545866767 /nfs/dbraw/zinc/86/67/67/545866767.db2.gz IHMUWADYDDWFTN-GFCCVEGCSA-N 0 3 322.413 0.564 20 70 DCIDHN CCc1nnc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)[n-]1 ZINC000159456425 396068812 /nfs/dbraw/zinc/06/88/12/396068812.db2.gz KLGYBXSWSXFLHC-LBPRGKRZSA-N 0 3 306.414 0.281 20 70 DCIDHN CCc1nnc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)[n-]1 ZINC000159456425 396068815 /nfs/dbraw/zinc/06/88/15/396068815.db2.gz KLGYBXSWSXFLHC-LBPRGKRZSA-N 0 3 306.414 0.281 20 70 DCIDHN CCCNC(=O)[C@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159385063 158353435 /nfs/dbraw/zinc/35/34/35/158353435.db2.gz VKDPOICXLQCBEC-GXTWGEPZSA-N 0 3 310.442 0.315 20 70 DCIDHN CC(C(=O)N(C)CC(C)(C)CN1CCOCC1)S(C)(=O)=O ZINC000160331900 158354372 /nfs/dbraw/zinc/35/43/72/158354372.db2.gz YKYAJNXFUZNKGP-LBPRGKRZSA-N 0 3 320.455 0.236 20 70 DCIDHN CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)N(C)C ZINC000159515469 416006499 /nfs/dbraw/zinc/00/64/99/416006499.db2.gz VHVXNBLVZVJDGQ-XQQFMLRXSA-N 0 3 319.471 0.407 20 70 DCIDHN CN(C)[C@H](CNC(=O)CNC1(C(N)=O)CC1)c1ccccc1 ZINC000160681250 416008979 /nfs/dbraw/zinc/00/89/79/416008979.db2.gz QXGAJDTZXWOWCA-CYBMUJFWSA-N 0 3 304.394 0.013 20 70 DCIDHN COCCN(CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161390805 416012952 /nfs/dbraw/zinc/01/29/52/416012952.db2.gz LWNKRQGRECPNDR-AWEZNQCLSA-N 0 3 315.439 0.717 20 70 DCIDHN C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160005070 533761858 /nfs/dbraw/zinc/76/18/58/533761858.db2.gz NRDYOJLTNWTJTL-QWHCGFSZSA-N 0 3 323.393 0.361 20 70 DCIDHN CCOC(=O)CCc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000160492305 520717040 /nfs/dbraw/zinc/71/70/40/520717040.db2.gz WRKJWDGDCMZSNA-KGLIPLIRSA-N 0 3 306.362 0.844 20 70 DCIDHN COC(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160537083 521963074 /nfs/dbraw/zinc/96/30/74/521963074.db2.gz RLTSNSVSILCETN-LLVKDONJSA-N 0 3 310.350 0.643 20 70 DCIDHN COC[C@@H](O)CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160174818 522412281 /nfs/dbraw/zinc/41/22/81/522412281.db2.gz IPCONLMYUFLPBB-BMFZPTHFSA-N 0 3 321.421 0.956 20 70 DCIDHN C[C@@H](N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159795846 524988126 /nfs/dbraw/zinc/98/81/26/524988126.db2.gz ALVOJMIHJABUAV-HIFRSBDPSA-N 0 3 316.405 0.283 20 70 DCIDHN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1C[C@H](O)CN1 ZINC000160396516 526924319 /nfs/dbraw/zinc/92/43/19/526924319.db2.gz RVMACTPNFPSLDB-XQQFMLRXSA-N 0 3 323.780 0.284 20 70 DCIDHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CN(C)CCO1 ZINC000160078087 545860615 /nfs/dbraw/zinc/86/06/15/545860615.db2.gz MPCUHGWSTBPENO-OLZOCXBDSA-N 0 3 324.429 0.285 20 70 DCIDHN CNC(=O)C1(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CC1 ZINC000159568994 158353487 /nfs/dbraw/zinc/35/34/87/158353487.db2.gz KXDPBNLDYSXVJY-AWEZNQCLSA-N 0 3 323.437 0.616 20 70 DCIDHN CN(CC(=O)NCC1CCN(CCO)CC1)Cc1ccccc1 ZINC000160614953 416009298 /nfs/dbraw/zinc/00/92/98/416009298.db2.gz MMWBULAUFNIAEC-UHFFFAOYSA-N 0 3 319.449 0.939 20 70 DCIDHN CC[N@H+](Cc1nc2c([n-]1)n(C)c(=O)n(C)c2=O)C1CCCC1 ZINC000161413818 521452019 /nfs/dbraw/zinc/45/20/19/521452019.db2.gz HOCUXCAODMGOSO-UHFFFAOYSA-N 0 3 305.382 0.725 20 70 DCIDHN CC[N@@H+](Cc1nc2c([n-]1)n(C)c(=O)n(C)c2=O)C1CCCC1 ZINC000161413818 521452027 /nfs/dbraw/zinc/45/20/27/521452027.db2.gz HOCUXCAODMGOSO-UHFFFAOYSA-N 0 3 305.382 0.725 20 70 DCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1COc2ccccc2O1 ZINC000160579114 526484843 /nfs/dbraw/zinc/48/48/43/526484843.db2.gz MPRHKCXPCSMDJQ-CZUORRHYSA-N 0 3 320.389 0.789 20 70 DCIDHN NC(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160475797 527076150 /nfs/dbraw/zinc/07/61/50/527076150.db2.gz NFZIIGYQEYZMRJ-CQSZACIVSA-N 0 3 305.378 0.362 20 70 DCIDHN CN(C)[C@H](CNC(=O)[C@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159635122 291235477 /nfs/dbraw/zinc/23/54/77/291235477.db2.gz XKIFYJRXLDTOAN-GJZGRUSLSA-N 0 3 303.406 0.802 20 70 DCIDHN CN(C)CCN1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160193284 291237821 /nfs/dbraw/zinc/23/78/21/291237821.db2.gz QSKJQVVMUNUGRJ-INIZCTEOSA-N 0 3 312.458 0.569 20 70 DCIDHN CN(C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159865299 396071462 /nfs/dbraw/zinc/07/14/62/396071462.db2.gz VKLJUNJTVLGUEJ-AGIUHOORSA-N 0 3 317.455 0.736 20 70 DCIDHN CC1=C(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000159804684 396071611 /nfs/dbraw/zinc/07/16/11/396071611.db2.gz DGBODVAATWOUIT-OAHLLOKOSA-N 0 3 321.421 0.836 20 70 DCIDHN C[C@](O)(CNC(=O)c1cccc2nc[nH]c21)CN1CCOCC1 ZINC000159758428 396070180 /nfs/dbraw/zinc/07/01/80/396070180.db2.gz LRKNSFYQOKHPGI-INIZCTEOSA-N 0 3 318.377 0.376 20 70 DCIDHN C[C@@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)CN1CCOCC1 ZINC000160664553 396074570 /nfs/dbraw/zinc/07/45/70/396074570.db2.gz SCIQRRGLQWTJEU-HOCLYGCPSA-N 0 3 324.469 0.738 20 70 DCIDHN CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160681694 396074972 /nfs/dbraw/zinc/07/49/72/396074972.db2.gz QOHGZVOYFGZPOB-OCCSQVGLSA-N 0 3 301.456 0.884 20 70 DCIDHN CSCC[C@H](N)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160046806 158352758 /nfs/dbraw/zinc/35/27/58/158352758.db2.gz FOSWOLOOMKLYTR-NSHDSACASA-N 0 3 301.456 0.832 20 70 DCIDHN Cn1cnc2cc(C(=O)NCC3CCN(CCO)CC3)cnc21 ZINC000160837340 158356302 /nfs/dbraw/zinc/35/63/02/158356302.db2.gz WUVGOGUGKNQHQF-UHFFFAOYSA-N 0 3 317.393 0.402 20 70 DCIDHN CC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000161461897 158357232 /nfs/dbraw/zinc/35/72/32/158357232.db2.gz XYCSNSSVOIVRFQ-CQSZACIVSA-N 0 3 314.407 0.480 20 70 DCIDHN C[C@@H](NC(=O)c1ccoc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160562667 416008919 /nfs/dbraw/zinc/00/89/19/416008919.db2.gz HURQIXVMYMOENC-GFCCVEGCSA-N 0 3 323.393 0.218 20 70 DCIDHN C[C@@H]1C[C@H](NC(=O)NCC2(CO)CCOCC2)CN1C1CC1 ZINC000159527114 533926629 /nfs/dbraw/zinc/92/66/29/533926629.db2.gz UDNDMGDWUKPVQS-OLZOCXBDSA-N 0 3 311.426 0.700 20 70 DCIDHN C[C@H](N)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161488188 524821213 /nfs/dbraw/zinc/82/12/13/524821213.db2.gz ABTFNAGQBCYXOJ-XVKPBYJWSA-N 0 3 300.742 0.608 20 70 DCIDHN CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000161487115 528740013 /nfs/dbraw/zinc/74/00/13/528740013.db2.gz WIWVMLYKMFILMD-CYBMUJFWSA-N 0 3 318.443 0.130 20 70 DCIDHN CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160049662 528850848 /nfs/dbraw/zinc/85/08/48/528850848.db2.gz WHRNFQHKZPPFRV-CHWSQXEVSA-N 0 3 314.430 0.177 20 70 DCIDHN CN(C)C[C@H](O)COc1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000160106883 237082326 /nfs/dbraw/zinc/08/23/26/237082326.db2.gz KZNFAIBYSPMZTJ-LBPRGKRZSA-N 0 3 314.407 0.892 20 70 DCIDHN CN1CCN(CCCNC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000160194586 291237634 /nfs/dbraw/zinc/23/76/34/291237634.db2.gz FRNMYZXTAJLAHJ-UHFFFAOYSA-N 0 3 324.469 0.579 20 70 DCIDHN COCC(=O)N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000160392977 291238617 /nfs/dbraw/zinc/23/86/17/291238617.db2.gz UKKHATUAYRYHID-UHFFFAOYSA-N 0 3 319.405 0.679 20 70 DCIDHN CCOCCN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160750182 396075005 /nfs/dbraw/zinc/07/50/05/396075005.db2.gz KLLYAKHRVSXTEZ-INIZCTEOSA-N 0 3 324.469 0.834 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000159787523 545861597 /nfs/dbraw/zinc/86/15/97/545861597.db2.gz YHOXLOQPZFQUPT-ZIAGYGMSSA-N 0 3 300.447 0.687 20 70 DCIDHN CC(C)NC(=O)c1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000160101118 519716777 /nfs/dbraw/zinc/71/67/77/519716777.db2.gz PMBNUEUNDQHELI-QGZVFWFLSA-N 0 3 321.421 0.867 20 70 DCIDHN CCN(C1CCN(C(=O)[C@H](N)C(C)C)CC1)S(C)(=O)=O ZINC000159531502 291235246 /nfs/dbraw/zinc/23/52/46/291235246.db2.gz DQEWQGMPQXKHCF-GFCCVEGCSA-N 0 3 305.444 0.242 20 70 DCIDHN CCN1CCCN(C(=O)NC2CCN(C(=O)OC)CC2)CC1 ZINC000159751773 291236454 /nfs/dbraw/zinc/23/64/54/291236454.db2.gz DMRFXTFEWXUGMV-UHFFFAOYSA-N 0 3 312.414 0.954 20 70 DCIDHN CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)N1CCCCC1 ZINC000161235938 291240859 /nfs/dbraw/zinc/24/08/59/291240859.db2.gz PSIXVJMMNRDNJM-MGPQQGTHSA-N 0 3 311.426 0.646 20 70 DCIDHN CCN1CCCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000159692829 396070604 /nfs/dbraw/zinc/07/06/04/396070604.db2.gz FPMCWSFQLRDPRL-UHFFFAOYSA-N 0 3 306.414 0.852 20 70 DCIDHN COCCN1CCC(NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 ZINC000160047032 158352643 /nfs/dbraw/zinc/35/26/43/158352643.db2.gz QIULXSUBUDXRIB-UKRRQHHQSA-N 0 3 313.442 0.900 20 70 DCIDHN CS(=O)(=O)NCC[C@H]1CCCCN1CCn1ccnc1 ZINC000161432250 158356940 /nfs/dbraw/zinc/35/69/40/158356940.db2.gz CUGBGBFWTAQYHU-CYBMUJFWSA-N 0 3 300.428 0.677 20 70 DCIDHN CCc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000161480069 158357020 /nfs/dbraw/zinc/35/70/20/158357020.db2.gz IBFHKNHGJWEJQI-AWEZNQCLSA-N 0 3 300.424 0.840 20 70 DCIDHN COC[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000161040089 416011192 /nfs/dbraw/zinc/01/11/92/416011192.db2.gz RPDFODIEVLZFPQ-AWEZNQCLSA-N 0 3 305.378 0.416 20 70 DCIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC(N)=O ZINC000159540551 524633159 /nfs/dbraw/zinc/63/31/59/524633159.db2.gz YEVJSCVFWCOHHR-JSGCOSHPSA-N 0 3 304.394 0.682 20 70 DCIDHN NC1(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160430508 527128031 /nfs/dbraw/zinc/12/80/31/527128031.db2.gz QSCSEYQOXKPEIJ-SNVBAGLBSA-N 0 3 312.753 0.752 20 70 DCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cn2cccnc2n1 ZINC000159963725 396072401 /nfs/dbraw/zinc/07/24/01/396072401.db2.gz FGHBQSZAMSDEFO-GFCCVEGCSA-N 0 3 303.366 0.306 20 70 DCIDHN COCc1nc(C(=O)NCC2CCN(CCO)CC2)cs1 ZINC000160615085 416009993 /nfs/dbraw/zinc/00/99/93/416009993.db2.gz ONJCHWVKRDYBGY-UHFFFAOYSA-N 0 3 313.423 0.724 20 70 DCIDHN CC(C)[C@@H](C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)N(C)C ZINC000159515327 279790210 /nfs/dbraw/zinc/79/02/10/279790210.db2.gz VHVXNBLVZVJDGQ-AGIUHOORSA-N 0 3 319.471 0.407 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH2+]C)C2)ccc1F ZINC000160587716 522504410 /nfs/dbraw/zinc/50/44/10/522504410.db2.gz RIIVVEGHAZIUHJ-JTQLQIEISA-N 0 3 315.370 0.168 20 70 DCIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000161041804 522807009 /nfs/dbraw/zinc/80/70/09/522807009.db2.gz KPERXPMVONHZSJ-CHWSQXEVSA-N 0 3 306.362 0.799 20 70 DCIDHN COCCN1CCC(NC(=O)CCc2cnn(C)c2C)CC1 ZINC000160299665 523811701 /nfs/dbraw/zinc/81/17/01/523811701.db2.gz OSRYAJABTHSWJP-UHFFFAOYSA-N 0 3 308.426 0.888 20 70 DCIDHN C[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161488307 524821846 /nfs/dbraw/zinc/82/18/46/524821846.db2.gz ABTFNAGQBCYXOJ-OIBJUYFYSA-N 0 3 300.742 0.608 20 70 DCIDHN COc1ccsc1S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000161471735 524884584 /nfs/dbraw/zinc/88/45/84/524884584.db2.gz RLQLCBLYLVJJEZ-NSHDSACASA-N 0 3 308.425 0.348 20 70 DCIDHN O=C(CNC(=O)c1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160382594 526863928 /nfs/dbraw/zinc/86/39/28/526863928.db2.gz ZXWJMEUFEUCMRA-OAHLLOKOSA-N 0 3 319.405 0.379 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000159657553 528895130 /nfs/dbraw/zinc/89/51/30/528895130.db2.gz ZLHKYLHNTIXDBA-NWDGAFQWSA-N 0 3 300.403 0.001 20 70 DCIDHN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccncc2)CC1 ZINC000161331028 545866488 /nfs/dbraw/zinc/86/64/88/545866488.db2.gz PBQAJOSIZOLDFL-GDBMZVCRSA-N 0 3 318.421 0.887 20 70 DCIDHN C[C@H]1C[C@H](NC(=O)NCC2(CO)CCOCC2)CN1C1CC1 ZINC000159527211 237076091 /nfs/dbraw/zinc/07/60/91/237076091.db2.gz UDNDMGDWUKPVQS-STQMWFEESA-N 0 3 311.426 0.700 20 70 DCIDHN C[C@H](CNC(=O)NCc1ncccc1F)CN1CCN(C)CC1 ZINC000159673437 291235754 /nfs/dbraw/zinc/23/57/54/291235754.db2.gz GDWBOTVJRHMFJU-CYBMUJFWSA-N 0 3 323.416 0.903 20 70 DCIDHN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCCN(CC)CC1)CC2 ZINC000159865229 396071065 /nfs/dbraw/zinc/07/10/65/396071065.db2.gz PCJBAGZNGAQATG-ZDUSSCGKSA-N 0 3 320.441 0.893 20 70 DCIDHN CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)[NH+]1CCC(C)CC1 ZINC000160003306 158352597 /nfs/dbraw/zinc/35/25/97/158352597.db2.gz WUZLEVRZQJKUIL-STQMWFEESA-N 0 3 324.425 0.457 20 70 DCIDHN COCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000160046622 158352962 /nfs/dbraw/zinc/35/29/62/158352962.db2.gz QIULXSUBUDXRIB-ZFWWWQNUSA-N 0 3 313.442 0.900 20 70 DCIDHN Cc1conc1NC(=O)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000161129122 416010848 /nfs/dbraw/zinc/01/08/48/416010848.db2.gz POPISRHTQMLENT-GFCCVEGCSA-N 0 3 324.381 0.131 20 70 DCIDHN COCCN(C)CCNC(=O)c1cnn(C2CCOCC2)c1C ZINC000160472076 523601492 /nfs/dbraw/zinc/60/14/92/523601492.db2.gz SQBBRJVPUPRJQL-UHFFFAOYSA-N 0 3 324.425 0.851 20 70 DCIDHN Cc1conc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000160912107 534752966 /nfs/dbraw/zinc/75/29/66/534752966.db2.gz UHNMRGNYOPDZMV-LBPRGKRZSA-N 0 3 324.381 0.491 20 70 DCIDHN CN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160962112 237091795 /nfs/dbraw/zinc/09/17/95/237091795.db2.gz WWMZGQPNYOLVKB-UPJWGTAASA-N 0 3 318.439 0.179 20 70 DCIDHN CC[C@H]1CN(Cc2nsc(N(C)C)n2)CCN1C[C@@H](C)O ZINC000159913723 416007816 /nfs/dbraw/zinc/00/78/16/416007816.db2.gz LCKAJTNTIKRUOK-NEPJUHHUSA-N 0 3 313.471 0.881 20 70 DCIDHN CC(C)CCNC(=O)C(C)S(=O)(=O)Cc1nccn1C ZINC000161173460 416011276 /nfs/dbraw/zinc/01/12/76/416011276.db2.gz KPSYXBNSZPQGSS-NSHDSACASA-N 0 3 301.412 0.886 20 70 DCIDHN COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1C ZINC000161421217 416013334 /nfs/dbraw/zinc/01/33/34/416013334.db2.gz NMTXIQQWSNAGDF-AWEZNQCLSA-N 0 3 316.423 0.595 20 70 DCIDHN COC[C@@H](O)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159944008 522411834 /nfs/dbraw/zinc/41/18/34/522411834.db2.gz OHIWVMPHWWVIET-BPUTZDHNSA-N 0 3 321.421 0.813 20 70 DCIDHN Cc1cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)ccc1F ZINC000161508373 525411592 /nfs/dbraw/zinc/41/15/92/525411592.db2.gz GCALTZCRPWLVFX-CYBMUJFWSA-N 0 3 304.387 0.725 20 70 DCIDHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH3+] ZINC000160020695 525579429 /nfs/dbraw/zinc/57/94/29/525579429.db2.gz BTZOPTUINXLXJD-MRVPVSSYSA-N 0 3 305.425 0.268 20 70 DCIDHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159691845 525955503 /nfs/dbraw/zinc/95/55/03/525955503.db2.gz NQQMEGOEOAJNJO-XBFCOCLRSA-N 0 3 311.426 0.192 20 70 DCIDHN CC(C(N)=O)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159384751 526192511 /nfs/dbraw/zinc/19/25/11/526192511.db2.gz IIVIWUXEWDLTEZ-MRVPVSSYSA-N 0 3 301.368 0.906 20 70 DCIDHN CC(C)(C(N)=O)c1ccc(NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000160381505 527544872 /nfs/dbraw/zinc/54/48/72/527544872.db2.gz RNMHNUJGZOJOSG-CYBMUJFWSA-N 0 3 305.378 0.767 20 70 DCIDHN C[C@H]1CCCN(S(=O)(=O)NCC2CCN(CCO)CC2)C1 ZINC000161419429 237095285 /nfs/dbraw/zinc/09/52/85/237095285.db2.gz AAQXIWYGCJYBOB-ZDUSSCGKSA-N 0 3 319.471 0.257 20 70 DCIDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000161411074 237095603 /nfs/dbraw/zinc/09/56/03/237095603.db2.gz ADOARXXQBGICTL-ZDUSSCGKSA-N 0 3 304.387 0.558 20 70 DCIDHN CNC(=O)C1(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CC1 ZINC000159569123 158352783 /nfs/dbraw/zinc/35/27/83/158352783.db2.gz KXDPBNLDYSXVJY-CQSZACIVSA-N 0 3 323.437 0.616 20 70 DCIDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1CCN(CCO)CC1 ZINC000160569342 416008678 /nfs/dbraw/zinc/00/86/78/416008678.db2.gz IUHOCOKCZIQPLY-GFCCVEGCSA-N 0 3 313.442 0.358 20 70 DCIDHN CCOC(=O)CCc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000160492053 520717086 /nfs/dbraw/zinc/71/70/86/520717086.db2.gz WRKJWDGDCMZSNA-KBPBESRZSA-N 0 3 306.362 0.844 20 70 DCIDHN O=C(CNC[C@@H]1CCCO1)NCCCOC[C@H]1CCOC1 ZINC000160585330 534592652 /nfs/dbraw/zinc/59/26/52/534592652.db2.gz URQSRUDPPOHZQP-KGLIPLIRSA-N 0 3 300.399 0.314 20 70 DCIDHN CC(C)OCCS(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161397329 527990048 /nfs/dbraw/zinc/99/00/48/527990048.db2.gz LBAPQRNAYJCTTI-UHFFFAOYSA-N 0 3 308.444 0.035 20 70 DCIDHN C[C@H]1C[C@@H](NC(=O)NCC2(CO)CCOCC2)CN1C1CC1 ZINC000159527452 237074942 /nfs/dbraw/zinc/07/49/42/237074942.db2.gz UDNDMGDWUKPVQS-QWHCGFSZSA-N 0 3 311.426 0.700 20 70 DCIDHN CCC(=O)N1CC[C@@H](C(=O)NC2CCN(CCOC)CC2)C1 ZINC000160378462 291238262 /nfs/dbraw/zinc/23/82/62/291238262.db2.gz YIFHVWMZYUIKTP-CYBMUJFWSA-N 0 3 311.426 0.472 20 70 DCIDHN CCN(C1CCN(C(=O)[C@@H](N)C(C)C)CC1)S(C)(=O)=O ZINC000159531638 396068397 /nfs/dbraw/zinc/06/83/97/396068397.db2.gz DQEWQGMPQXKHCF-LBPRGKRZSA-N 0 3 305.444 0.242 20 70 DCIDHN CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000161319423 396075988 /nfs/dbraw/zinc/07/59/88/396075988.db2.gz QXEDXYKKORCVNZ-LBPRGKRZSA-N 0 3 305.382 0.438 20 70 DCIDHN COCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000160046913 158353520 /nfs/dbraw/zinc/35/35/20/158353520.db2.gz QIULXSUBUDXRIB-DZGCQCFKSA-N 0 3 313.442 0.900 20 70 DCIDHN COC(=O)[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000161091623 158356083 /nfs/dbraw/zinc/35/60/83/158356083.db2.gz PQFMRKPJRKRGCK-LBPRGKRZSA-N 0 3 323.397 0.862 20 70 DCIDHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCO1 ZINC000160977403 289199232 /nfs/dbraw/zinc/19/92/32/289199232.db2.gz TZTMULKQELZTMB-BARDWOONSA-N 0 3 323.437 0.916 20 70 DCIDHN CC[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161489819 522328550 /nfs/dbraw/zinc/32/85/50/522328550.db2.gz XIACCPTZCPXZIW-WDEREUQCSA-N 0 3 314.769 0.998 20 70 DCIDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000160324567 523576630 /nfs/dbraw/zinc/57/66/30/523576630.db2.gz RUMFEUZAZRTLBA-UHFFFAOYSA-N 0 3 308.382 0.413 20 70 DCIDHN CN(C)C(=O)c1cc(NC(=O)C[C@H]2CNCCO2)ccc1F ZINC000160358860 524018931 /nfs/dbraw/zinc/01/89/31/524018931.db2.gz JHNNDKNPOMIJFO-NSHDSACASA-N 0 3 309.341 0.845 20 70 DCIDHN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1N ZINC000161202723 524610935 /nfs/dbraw/zinc/61/09/35/524610935.db2.gz GKWHKDJODXVBTL-NSHDSACASA-N 0 3 320.393 0.626 20 70 DCIDHN C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCS(=O)(=O)C1 ZINC000161308234 524769342 /nfs/dbraw/zinc/76/93/42/524769342.db2.gz MYFYYYOCJLDRKS-PSASIEDQSA-N 0 3 322.228 0.811 20 70 DCIDHN C[C@@H](NCCO)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000159682372 525451550 /nfs/dbraw/zinc/45/15/50/525451550.db2.gz VOKCYRJFFUMTQL-GFCCVEGCSA-N 0 3 314.407 0.350 20 70 DCIDHN C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CN(C)CCO1 ZINC000160238492 545863736 /nfs/dbraw/zinc/86/37/36/545863736.db2.gz MUSSECHFTQSRCT-GXTWGEPZSA-N 0 3 324.429 0.285 20 70 DCIDHN COC(=O)CCCS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000218716991 545939780 /nfs/dbraw/zinc/93/97/80/545939780.db2.gz AZPVOXJDCCXGFJ-RYUDHWBXSA-N 0 3 304.412 0.486 20 70 DCIDHN CCN1CCCN(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000159826072 285211456 /nfs/dbraw/zinc/21/14/56/285211456.db2.gz LHLKURPFWTYRKL-LSDHHAIUSA-N 0 3 312.458 0.833 20 70 DCIDHN CCc1nnc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)[n-]1 ZINC000159456287 396068561 /nfs/dbraw/zinc/06/85/61/396068561.db2.gz KLGYBXSWSXFLHC-GFCCVEGCSA-N 0 3 306.414 0.281 20 70 DCIDHN CCc1nnc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)[n-]1 ZINC000159456287 396068563 /nfs/dbraw/zinc/06/85/63/396068563.db2.gz KLGYBXSWSXFLHC-GFCCVEGCSA-N 0 3 306.414 0.281 20 70 DCIDHN CC(C)COC[C@H](O)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160637734 396074229 /nfs/dbraw/zinc/07/42/29/396074229.db2.gz DDTKIIIAGSYBRM-LSDHHAIUSA-N 0 3 313.442 0.803 20 70 DCIDHN O=C(NCC1CCN(CCO)CC1)c1cccc2c[nH]nc21 ZINC000160590793 416008627 /nfs/dbraw/zinc/00/86/27/416008627.db2.gz UMHBZAHATBXLIJ-UHFFFAOYSA-N 0 3 302.378 0.997 20 70 DCIDHN CCOC[C@H](O)CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161311294 520160635 /nfs/dbraw/zinc/16/06/35/520160635.db2.gz PKAVNGXIBNNQPO-WCQYABFASA-N 0 3 316.423 0.643 20 70 DCIDHN COCCCN(C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000159898230 396071398 /nfs/dbraw/zinc/07/13/98/396071398.db2.gz RZUPWJXQFAZVII-UHFFFAOYSA-N 0 3 305.382 0.666 20 70 DCIDHN CCN(CC)C(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159394948 396067839 /nfs/dbraw/zinc/06/78/39/396067839.db2.gz VKDGRIYTQFWXCL-AWEZNQCLSA-N 0 3 310.442 0.269 20 70 DCIDHN CCOc1ncccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160619431 416009392 /nfs/dbraw/zinc/00/93/92/416009392.db2.gz QWTDNERFHVVAGD-UHFFFAOYSA-N 0 3 307.394 0.914 20 70 DCIDHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CNCCOC)CC2 ZINC000160750784 276482856 /nfs/dbraw/zinc/48/28/56/276482856.db2.gz XXMOXQCNDCVOJJ-QWHCGFSZSA-N 0 3 300.399 0.001 20 70 DCIDHN COC(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160536950 521962815 /nfs/dbraw/zinc/96/28/15/521962815.db2.gz RLTSNSVSILCETN-NSHDSACASA-N 0 3 310.350 0.643 20 70 DCIDHN CC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000161448895 527389239 /nfs/dbraw/zinc/38/92/39/527389239.db2.gz LOQBGIXCZUNNFK-CQSZACIVSA-N 0 3 314.407 0.480 20 70 DCIDHN CN(C)CCn1cc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cn1 ZINC000161489201 545866611 /nfs/dbraw/zinc/86/66/11/545866611.db2.gz IHMUWADYDDWFTN-LBPRGKRZSA-N 0 3 322.413 0.564 20 70 DCIDHN CC(C(=O)N(C)CC(C)(C)CN1CCOCC1)S(C)(=O)=O ZINC000160332038 158354304 /nfs/dbraw/zinc/35/43/04/158354304.db2.gz YKYAJNXFUZNKGP-GFCCVEGCSA-N 0 3 320.455 0.236 20 70 DCIDHN COC[C@@H](O)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160174933 277249952 /nfs/dbraw/zinc/24/99/52/277249952.db2.gz IPCONLMYUFLPBB-IMJJTQAJSA-N 0 3 321.421 0.956 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH3+])ccc1F ZINC000160005454 522261845 /nfs/dbraw/zinc/26/18/45/522261845.db2.gz GIUZNYCOHQROJO-UHFFFAOYSA-N 0 3 303.359 0.201 20 70 DCIDHN O=C(CN1CCN(c2ccncc2)CC1)NC[C@@H]1CCCO1 ZINC000161401223 545866408 /nfs/dbraw/zinc/86/64/08/545866408.db2.gz ROZLTDDNVLWPTO-HNNXBMFYSA-N 0 3 304.394 0.499 20 70 DCIDHN CN(C)C[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)CCO1 ZINC000160014584 282128365 /nfs/dbraw/zinc/12/83/65/282128365.db2.gz SZMBHJXVGUWPSX-VXGBXAGGSA-N 0 3 323.359 0.802 20 70 DCIDHN C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000159990082 396072165 /nfs/dbraw/zinc/07/21/65/396072165.db2.gz UCWLFOFGGJWCMO-HIFRSBDPSA-N 0 3 309.410 0.178 20 70 DCIDHN Cn1c2[n-]c(C[N@H+](C)C3CCCCC3)nc2c(=O)n(C)c1=O ZINC000161253894 523555249 /nfs/dbraw/zinc/55/52/49/523555249.db2.gz YDBXTTFBJGUNLH-UHFFFAOYSA-N 0 3 305.382 0.725 20 70 DCIDHN Cn1c2[n-]c(C[N@@H+](C)C3CCCCC3)nc2c(=O)n(C)c1=O ZINC000161253894 523555251 /nfs/dbraw/zinc/55/52/51/523555251.db2.gz YDBXTTFBJGUNLH-UHFFFAOYSA-N 0 3 305.382 0.725 20 70 DCIDHN Cc1ccnc2nc(C(=O)NC[C@@H](O)CN3CCCCC3)nn21 ZINC000160497075 525719377 /nfs/dbraw/zinc/71/93/77/525719377.db2.gz KMQJGCFEABCXSC-GFCCVEGCSA-N 0 3 318.381 0.009 20 70 DCIDHN C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160008024 525968675 /nfs/dbraw/zinc/96/86/75/525968675.db2.gz UUTPCFDERRWORX-UONOGXRCSA-N 0 3 307.394 0.812 20 70 DCIDHN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CCCCN1 ZINC000160461717 527171761 /nfs/dbraw/zinc/17/17/61/527171761.db2.gz IOUJJNOLKYMXCH-JSGCOSHPSA-N 0 3 315.373 0.972 20 70 DCIDHN C[C@H]1CN(C(=O)CN2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000161391494 545865922 /nfs/dbraw/zinc/86/59/22/545865922.db2.gz PRSASGZAORLCRZ-GJZGRUSLSA-N 0 3 318.421 0.839 20 70 DCIDHN CS[C@@H](C)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000159674647 291235802 /nfs/dbraw/zinc/23/58/02/291235802.db2.gz NGEQWFVDDAJMSJ-OLZOCXBDSA-N 0 3 302.488 0.921 20 70 DCIDHN CO[C@@H]1CCC[C@H]1NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000160014803 291236955 /nfs/dbraw/zinc/23/69/55/291236955.db2.gz DGCZXDOHCSOCIH-HUUCEWRRSA-N 0 3 312.458 0.879 20 70 DCIDHN C[C@@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)CN1CCOCC1 ZINC000160664300 396074120 /nfs/dbraw/zinc/07/41/20/396074120.db2.gz SCIQRRGLQWTJEU-GOEBONIOSA-N 0 3 324.469 0.738 20 70 DCIDHN CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160770613 396074918 /nfs/dbraw/zinc/07/49/18/396074918.db2.gz UWYKCCOAGHWCLD-KBPBESRZSA-N 0 3 308.426 0.638 20 70 DCIDHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000161251464 158357277 /nfs/dbraw/zinc/35/72/77/158357277.db2.gz FGULJEHVTUISKE-UONOGXRCSA-N 0 3 319.405 0.780 20 70 DCIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000160517121 416008052 /nfs/dbraw/zinc/00/80/52/416008052.db2.gz XVBYKNUDKWVMOE-MNOVXSKESA-N 0 3 324.425 0.605 20 70 DCIDHN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160662848 525367881 /nfs/dbraw/zinc/36/78/81/525367881.db2.gz IQASJHMGYIFALS-TZMCWYRMSA-N 0 3 323.393 0.361 20 70 DCIDHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CN(C)CCO1 ZINC000160078228 545860690 /nfs/dbraw/zinc/86/06/90/545860690.db2.gz MPCUHGWSTBPENO-QWHCGFSZSA-N 0 3 324.429 0.285 20 70 DCIDHN CN(C(=O)C[C@@H]1CNCCO1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000160962499 237089146 /nfs/dbraw/zinc/08/91/46/237089146.db2.gz WWMZGQPNYOLVKB-FRRDWIJNSA-N 0 3 318.439 0.179 20 70 DCIDHN CCN1CCC(NC(=O)CSCCN2CCOCC2)CC1 ZINC000159962070 291236876 /nfs/dbraw/zinc/23/68/76/291236876.db2.gz JPOFZSNITZXJOA-UHFFFAOYSA-N 0 3 315.483 0.652 20 70 DCIDHN O=C(CNC1CCN(CC(F)F)CC1)NCC(F)(F)F ZINC000160566215 291239105 /nfs/dbraw/zinc/23/91/05/291239105.db2.gz FIYLUKGHBXUJKG-UHFFFAOYSA-N 0 3 303.275 0.984 20 70 DCIDHN COCC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000159806601 396071386 /nfs/dbraw/zinc/07/13/86/396071386.db2.gz BLYORFQWVBXOCZ-CYBMUJFWSA-N 0 3 311.426 0.424 20 70 DCIDHN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160742191 396075356 /nfs/dbraw/zinc/07/53/56/396075356.db2.gz DUSDWIQAIJURSE-ZIAGYGMSSA-N 0 3 308.426 0.637 20 70 DCIDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000161432083 416013793 /nfs/dbraw/zinc/01/37/93/416013793.db2.gz JGUPNFGCQAQSAY-LBPRGKRZSA-N 0 3 308.350 0.556 20 70 DCIDHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCO1 ZINC000160243808 289199321 /nfs/dbraw/zinc/19/93/21/289199321.db2.gz UBXRYRUMYRKZEU-KFWWJZLASA-N 0 3 311.426 0.916 20 70 DCIDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(OC)nn2)CC1 ZINC000160115144 521685654 /nfs/dbraw/zinc/68/56/54/521685654.db2.gz PLVKFWXZGLAWTQ-CYBMUJFWSA-N 0 3 321.425 0.489 20 70 DCIDHN CCn1nnnc1-c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000159585506 523769107 /nfs/dbraw/zinc/76/91/07/523769107.db2.gz UFWQUTOSCQKWQD-VXGBXAGGSA-N 0 3 302.338 0.021 20 70 DCIDHN C[C@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000161343354 524823730 /nfs/dbraw/zinc/82/37/30/524823730.db2.gz ZHIIXEWNXHMSOV-ZETCQYMHSA-N 0 3 301.343 0.552 20 70 DCIDHN Cc1ccoc1C(=O)NCCCNC(=O)CNC[C@H]1CCCO1 ZINC000160384045 525782413 /nfs/dbraw/zinc/78/24/13/525782413.db2.gz ORWXDRSWXLESPJ-CYBMUJFWSA-N 0 3 323.393 0.593 20 70 DCIDHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCO1 ZINC000160244073 291238139 /nfs/dbraw/zinc/23/81/39/291238139.db2.gz UBXRYRUMYRKZEU-ZNMIVQPWSA-N 0 3 311.426 0.916 20 70 DCIDHN CC(C)[C@@H](C)NC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159375840 396068215 /nfs/dbraw/zinc/06/82/15/396068215.db2.gz XZZSVNDHBUBFNX-UKRRQHHQSA-N 0 3 324.469 0.561 20 70 DCIDHN CN(CCN1C(=O)NC2(CCCC2)C1=O)C[C@H]1CCC[C@@H]1O ZINC000159500565 396068594 /nfs/dbraw/zinc/06/85/94/396068594.db2.gz AZSFCIJQVGXUTD-OLZOCXBDSA-N 0 3 309.410 0.944 20 70 DCIDHN Cc1ccc(F)c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1 ZINC000161437983 158357749 /nfs/dbraw/zinc/35/77/49/158357749.db2.gz PWCUHUSSPNBLHN-ZDUSSCGKSA-N 0 3 304.387 0.725 20 70 DCIDHN CN(C[C@@H]1CCCN(C)C1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161190197 416010889 /nfs/dbraw/zinc/01/08/89/416010889.db2.gz ZZWLWOLLCGCKNI-CHWSQXEVSA-N 0 3 306.414 0.576 20 70 DCIDHN COCCC1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000161401131 416013114 /nfs/dbraw/zinc/01/31/14/416013114.db2.gz BCTVVFNYPNSZPV-AWEZNQCLSA-N 0 3 323.437 0.744 20 70 DCIDHN CC(C)[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)N(C)C ZINC000161197924 519789444 /nfs/dbraw/zinc/78/94/44/519789444.db2.gz MZVSEYWKROWTEB-NSHDSACASA-N 0 3 319.452 0.598 20 70 DCIDHN COC(CN1CCC(CNC(=O)c2cnn(C)c2)CC1)OC ZINC000161186976 522531726 /nfs/dbraw/zinc/53/17/26/522531726.db2.gz OZRVJYIKOXFGQU-UHFFFAOYSA-N 0 3 310.398 0.481 20 70 DCIDHN C[C@@H](NCCO)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159718214 525451720 /nfs/dbraw/zinc/45/17/20/525451720.db2.gz SZDHCPQESSMLJW-GFCCVEGCSA-N 0 3 314.407 0.350 20 70 DCIDHN CS(=O)(=O)NCC[C@@H]1CCCCN1CCn1ccnc1 ZINC000161432125 158357609 /nfs/dbraw/zinc/35/76/09/158357609.db2.gz CUGBGBFWTAQYHU-ZDUSSCGKSA-N 0 3 300.428 0.677 20 70 DCIDHN COC(=O)CCCc1nnc(NC(=O)[C@H](N)C(C)C)s1 ZINC000161214332 523052062 /nfs/dbraw/zinc/05/20/62/523052062.db2.gz WKOIMVWYZDFMGK-SNVBAGLBSA-N 0 3 300.384 0.956 20 70 DCIDHN CCn1nnnc1-c1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000159585263 523770017 /nfs/dbraw/zinc/77/00/17/523770017.db2.gz UFWQUTOSCQKWQD-NWDGAFQWSA-N 0 3 302.338 0.021 20 70 DCIDHN C[C@@H](N)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161488830 524986955 /nfs/dbraw/zinc/98/69/55/524986955.db2.gz ABTFNAGQBCYXOJ-GMSGAONNSA-N 0 3 300.742 0.608 20 70 DCIDHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH3+] ZINC000160020522 525513533 /nfs/dbraw/zinc/51/35/33/525513533.db2.gz BTZOPTUINXLXJD-QMMMGPOBSA-N 0 3 305.425 0.268 20 70 DCIDHN C[C@@H]1CN(C(=O)CN2CCN(c3ccncc3)CC2)C[C@@H](C)O1 ZINC000161391628 545866141 /nfs/dbraw/zinc/86/61/41/545866141.db2.gz PRSASGZAORLCRZ-HUUCEWRRSA-N 0 3 318.421 0.839 20 70 DCIDHN COC(=O)CCCS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000218716911 545940644 /nfs/dbraw/zinc/94/06/44/545940644.db2.gz AZPVOXJDCCXGFJ-NEPJUHHUSA-N 0 3 304.412 0.486 20 70 DCIDHN CN1CCN(CCCNC(=O)c2ccc3cnccc3n2)CC1 ZINC000218727599 545940489 /nfs/dbraw/zinc/94/04/89/545940489.db2.gz DJWHKFBQTVQOBC-UHFFFAOYSA-N 0 3 313.405 0.997 20 70 DCIDHN CC1(NC(=O)NCCCCN2CCN(CCO)CC2)CCC1 ZINC000161248905 291240932 /nfs/dbraw/zinc/24/09/32/291240932.db2.gz YNHQFQAYJIRRAY-UHFFFAOYSA-N 0 3 312.458 0.618 20 70 DCIDHN O=C(NCC1CCN(CCO)CC1)c1cccc2c1OCCO2 ZINC000160701731 158356311 /nfs/dbraw/zinc/35/63/11/158356311.db2.gz IFEKXQCXRBWRFK-UHFFFAOYSA-N 0 3 320.389 0.892 20 70 DCIDHN Cc1ccc(C)c(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000161430854 158357573 /nfs/dbraw/zinc/35/75/73/158357573.db2.gz ZXSKXWDJXWOYFS-AWEZNQCLSA-N 0 3 300.424 0.894 20 70 DCIDHN CC1(O)CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000161198871 520773551 /nfs/dbraw/zinc/77/35/51/520773551.db2.gz IPXJULTUMAXOPI-UHFFFAOYSA-N 0 3 314.407 0.560 20 70 DCIDHN C[C@H](NCCO)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000159682228 525355118 /nfs/dbraw/zinc/35/51/18/525355118.db2.gz VOKCYRJFFUMTQL-LBPRGKRZSA-N 0 3 314.407 0.350 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000159787265 545860421 /nfs/dbraw/zinc/86/04/21/545860421.db2.gz YHOXLOQPZFQUPT-KGLIPLIRSA-N 0 3 300.447 0.687 20 70 DCIDHN CCCn1nccc1CNC1CCN(S(C)(=O)=O)CC1 ZINC000160004741 545861301 /nfs/dbraw/zinc/86/13/01/545861301.db2.gz RTBHWVPJQBJXGV-UHFFFAOYSA-N 0 3 300.428 0.807 20 70 DCIDHN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccncc2)CC1 ZINC000161330926 545865973 /nfs/dbraw/zinc/86/59/73/545865973.db2.gz PBQAJOSIZOLDFL-GOEBONIOSA-N 0 3 318.421 0.887 20 70 DCIDHN C[C@@H]1CCCN(S(=O)(=O)NCC2CCN(CCO)CC2)C1 ZINC000161419297 237092814 /nfs/dbraw/zinc/09/28/14/237092814.db2.gz AAQXIWYGCJYBOB-CYBMUJFWSA-N 0 3 319.471 0.257 20 70 DCIDHN CN(C)[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Cc1ccccc1 ZINC000159634850 291235394 /nfs/dbraw/zinc/23/53/94/291235394.db2.gz XKIFYJRXLDTOAN-CABCVRRESA-N 0 3 303.406 0.802 20 70 DCIDHN CN(C)CCN(C(=O)NCCNS(C)(=O)=O)C1CCCC1 ZINC000159941544 291236942 /nfs/dbraw/zinc/23/69/42/291236942.db2.gz LRRVWRMXQSMCAS-UHFFFAOYSA-N 0 3 320.459 0.051 20 70 DCIDHN O=C(CN1CCN(c2ccncc2)CC1)NC(=O)NC1CC1 ZINC000161352253 396076232 /nfs/dbraw/zinc/07/62/32/396076232.db2.gz BJNKRZUROJZGOH-UHFFFAOYSA-N 0 3 303.366 0.192 20 70 DCIDHN O=C(CCCNC(=O)C1CC1)NCC1CCN(CCO)CC1 ZINC000160542574 416008800 /nfs/dbraw/zinc/00/88/00/416008800.db2.gz BMQVPRFAWRHJJZ-UHFFFAOYSA-N 0 3 311.426 0.113 20 70 DCIDHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161165720 289220804 /nfs/dbraw/zinc/22/08/04/289220804.db2.gz UOXRRQNTFNRNFR-SFDCQRBFSA-N 0 3 311.426 0.556 20 70 DCIDHN CN(C)C[C@@H](O)COc1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000160107009 237082382 /nfs/dbraw/zinc/08/23/82/237082382.db2.gz KZNFAIBYSPMZTJ-GFCCVEGCSA-N 0 3 314.407 0.892 20 70 DCIDHN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160742591 396075264 /nfs/dbraw/zinc/07/52/64/396075264.db2.gz DUSDWIQAIJURSE-KBPBESRZSA-N 0 3 308.426 0.637 20 70 DCIDHN CCN(CC)S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 ZINC000161457688 158357365 /nfs/dbraw/zinc/35/73/65/158357365.db2.gz FTNRSVWRXMEFQO-CYBMUJFWSA-N 0 3 321.487 0.598 20 70 DCIDHN Cc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)CN(C)C ZINC000161436031 416012882 /nfs/dbraw/zinc/01/28/82/416012882.db2.gz CZKRAHVRZBAZMZ-ZDUSSCGKSA-N 0 3 304.387 0.725 20 70 DCIDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(OC)nn2)CC1 ZINC000160115033 521685210 /nfs/dbraw/zinc/68/52/10/521685210.db2.gz PLVKFWXZGLAWTQ-ZDUSSCGKSA-N 0 3 321.425 0.489 20 70 DCIDHN COC[C@@H](O)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160174723 522411954 /nfs/dbraw/zinc/41/19/54/522411954.db2.gz IPCONLMYUFLPBB-BPUTZDHNSA-N 0 3 321.421 0.956 20 70 DCIDHN CC(C(N)=O)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159384600 524309458 /nfs/dbraw/zinc/30/94/58/524309458.db2.gz IIVIWUXEWDLTEZ-QMMMGPOBSA-N 0 3 301.368 0.906 20 70 DCIDHN CCc1nn(C)c(CC)c1CNCCCNS(C)(=O)=O ZINC000159733341 291236152 /nfs/dbraw/zinc/23/61/52/291236152.db2.gz SBHVDZDIJLLUBH-UHFFFAOYSA-N 0 3 302.444 0.574 20 70 DCIDHN CCN1CCCN(C(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000159889949 285210314 /nfs/dbraw/zinc/21/03/14/285210314.db2.gz HJGMHGOBVXVGDL-HNNXBMFYSA-N 0 3 312.458 0.692 20 70 DCIDHN CS(=O)(=O)c1ccc(CNCCCN2CCOCC2)cc1 ZINC000159736403 396070668 /nfs/dbraw/zinc/07/06/68/396070668.db2.gz DTVCBUCMAVXIRF-UHFFFAOYSA-N 0 3 312.435 0.902 20 70 DCIDHN CN(C)c1cc(C(=O)NCC2CCN(CCO)CC2)ccn1 ZINC000160659008 158355915 /nfs/dbraw/zinc/35/59/15/158355915.db2.gz KHRFIJHVQJDKDF-UHFFFAOYSA-N 0 3 306.410 0.582 20 70 DCIDHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000161251958 158357527 /nfs/dbraw/zinc/35/75/27/158357527.db2.gz FGULJEHVTUISKE-ZIAGYGMSSA-N 0 3 319.405 0.780 20 70 DCIDHN COC(=O)c1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160552286 416010095 /nfs/dbraw/zinc/01/00/95/416010095.db2.gz LWVLQRNAKIMJHA-UHFFFAOYSA-N 0 3 320.389 0.907 20 70 DCIDHN CN(C)CCNC(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000217306213 521782504 /nfs/dbraw/zinc/78/25/04/521782504.db2.gz NQNMWJJFGBTKRB-UHFFFAOYSA-N 0 3 318.377 0.534 20 70 DCIDHN CCc1cccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000161510255 521784040 /nfs/dbraw/zinc/78/40/40/521784040.db2.gz UWOCZTSNEQJJGI-CQSZACIVSA-N 0 3 300.424 0.840 20 70 DCIDHN CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159990886 527644461 /nfs/dbraw/zinc/64/44/61/527644461.db2.gz KRDGUUBOKCFHGC-CYBMUJFWSA-N 0 3 313.442 0.502 20 70 DCIDHN C[C@@H](CNC(=O)NCc1ncccc1F)CN1CCN(C)CC1 ZINC000159673289 291236043 /nfs/dbraw/zinc/23/60/43/291236043.db2.gz GDWBOTVJRHMFJU-ZDUSSCGKSA-N 0 3 323.416 0.903 20 70 DCIDHN C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000161316211 396076319 /nfs/dbraw/zinc/07/63/19/396076319.db2.gz VDBWFAVOTJWZHW-RDBSUJKOSA-N 0 3 309.410 0.176 20 70 DCIDHN CCN(CC)S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1 ZINC000161457808 158357601 /nfs/dbraw/zinc/35/76/01/158357601.db2.gz FTNRSVWRXMEFQO-ZDUSSCGKSA-N 0 3 321.487 0.598 20 70 DCIDHN COC(=O)CCc1nnc(NC(=O)[C@H](N)CC(C)C)s1 ZINC000159459085 416006590 /nfs/dbraw/zinc/00/65/90/416006590.db2.gz PSZPANCJKGDQHA-MRVPVSSYSA-N 0 3 300.384 0.956 20 70 DCIDHN C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1CCN(CCO)CC1 ZINC000160569212 416009345 /nfs/dbraw/zinc/00/93/45/416009345.db2.gz IUHOCOKCZIQPLY-LBPRGKRZSA-N 0 3 313.442 0.358 20 70 DCIDHN Cc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1C ZINC000161431238 416013671 /nfs/dbraw/zinc/01/36/71/416013671.db2.gz JEBNSGQVFRVYSJ-CQSZACIVSA-N 0 3 300.424 0.894 20 70 DCIDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000161041676 522805520 /nfs/dbraw/zinc/80/55/20/522805520.db2.gz KPERXPMVONHZSJ-OLZOCXBDSA-N 0 3 306.362 0.799 20 70 DCIDHN CC(C)CC(=O)NCCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160533378 527661297 /nfs/dbraw/zinc/66/12/97/527661297.db2.gz AEJOPCNEFZIHSO-CQSZACIVSA-N 0 3 313.442 0.502 20 70 DCIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000159787393 545860992 /nfs/dbraw/zinc/86/09/92/545860992.db2.gz YHOXLOQPZFQUPT-UONOGXRCSA-N 0 3 300.447 0.687 20 70 DCIDHN CCN1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000161501828 545865828 /nfs/dbraw/zinc/86/58/28/545865828.db2.gz KLSOJFCYLRKPFY-LSDHHAIUSA-N 0 3 310.442 0.981 20 70 DCIDHN CS[C@@H](C)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000159674555 291236170 /nfs/dbraw/zinc/23/61/70/291236170.db2.gz NGEQWFVDDAJMSJ-STQMWFEESA-N 0 3 302.488 0.921 20 70 DCIDHN CC[C@@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)N(C)C ZINC000161338741 291241772 /nfs/dbraw/zinc/24/17/72/291241772.db2.gz ZTQUVOCAHPJNEB-ZDUSSCGKSA-N 0 3 303.362 0.739 20 70 DCIDHN C[C@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)CN1CCOCC1 ZINC000160664420 396073867 /nfs/dbraw/zinc/07/38/67/396073867.db2.gz SCIQRRGLQWTJEU-GDBMZVCRSA-N 0 3 324.469 0.738 20 70 DCIDHN CN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000159668083 396069811 /nfs/dbraw/zinc/06/98/11/396069811.db2.gz REUXGZNBFPBLLP-ZDUSSCGKSA-N 0 3 317.455 0.547 20 70 DCIDHN CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160673243 396075540 /nfs/dbraw/zinc/07/55/40/396075540.db2.gz FJQJVWJOVPSHKI-HNNXBMFYSA-N 0 3 310.442 0.444 20 70 DCIDHN CSC[C@](C)(O)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160681803 396075602 /nfs/dbraw/zinc/07/56/02/396075602.db2.gz QOHGZVOYFGZPOB-GXTWGEPZSA-N 0 3 301.456 0.884 20 70 DCIDHN CCN1CCCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000159585986 521607911 /nfs/dbraw/zinc/60/79/11/521607911.db2.gz IDTADKRWRKOMIE-UHFFFAOYSA-N 0 3 308.382 0.747 20 70 DCIDHN COCCN1CCC(NC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000161347276 523817001 /nfs/dbraw/zinc/81/70/01/523817001.db2.gz AMSQNDPEJHBNEA-UHFFFAOYSA-N 0 3 319.361 0.962 20 70 DCIDHN COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)c1 ZINC000161422542 525063952 /nfs/dbraw/zinc/06/39/52/525063952.db2.gz RAJPQLYJYSWBIX-AWEZNQCLSA-N 0 3 316.423 0.595 20 70 DCIDHN Cc1cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)ccc1F ZINC000161508250 525411770 /nfs/dbraw/zinc/41/17/70/525411770.db2.gz GCALTZCRPWLVFX-ZDUSSCGKSA-N 0 3 304.387 0.725 20 70 DCIDHN CN(CC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ncnc2[nH]cnc21 ZINC000159389272 396067826 /nfs/dbraw/zinc/06/78/26/396067826.db2.gz QNXIEZAHWYPKJR-PHIMTYICSA-N 0 3 315.381 0.142 20 70 DCIDHN C[C@@](O)(CNC(=O)c1cccc2nc[nH]c21)CN1CCOCC1 ZINC000159758289 396070597 /nfs/dbraw/zinc/07/05/97/396070597.db2.gz LRKNSFYQOKHPGI-MRXNPFEDSA-N 0 3 318.377 0.376 20 70 DCIDHN CSC[C@@](C)(O)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160681941 396075593 /nfs/dbraw/zinc/07/55/93/396075593.db2.gz QOHGZVOYFGZPOB-JSGCOSHPSA-N 0 3 301.456 0.884 20 70 DCIDHN CCN1CCCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000159841091 545861540 /nfs/dbraw/zinc/86/15/40/545861540.db2.gz ZQNLLJUSNNWPAT-UHFFFAOYSA-N 0 3 320.459 0.051 20 70 DCIDHN CCOC(=O)CCc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000160492434 520718058 /nfs/dbraw/zinc/71/80/58/520718058.db2.gz WRKJWDGDCMZSNA-ZIAGYGMSSA-N 0 3 306.362 0.844 20 70 DCIDHN CN(C)C(=O)c1cc(NC(=O)C[C@@H]2CNCCO2)ccc1F ZINC000160358727 524018980 /nfs/dbraw/zinc/01/89/80/524018980.db2.gz JHNNDKNPOMIJFO-LLVKDONJSA-N 0 3 309.341 0.845 20 70 DCIDHN C[C@@H](C(=O)N1CCCNCC1)n1nnc(-c2ccccc2)n1 ZINC000160882153 524111750 /nfs/dbraw/zinc/11/17/50/524111750.db2.gz GJVIQQLLBXRNAY-LBPRGKRZSA-N 0 3 300.366 0.723 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000160792488 545864297 /nfs/dbraw/zinc/86/42/97/545864297.db2.gz XLRVTMXXHQRETH-UWVGGRQHSA-N 0 3 315.395 0.496 20 70 DCIDHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000160792370 545864379 /nfs/dbraw/zinc/86/43/79/545864379.db2.gz XLRVTMXXHQRETH-VHSXEESVSA-N 0 3 315.395 0.496 20 70 DCIDHN CN(C)[C@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000159865028 282259585 /nfs/dbraw/zinc/25/95/85/282259585.db2.gz VKLJUNJTVLGUEJ-AVGNSLFASA-N 0 3 317.455 0.736 20 70 DCIDHN CNCC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000159812930 529956462 /nfs/dbraw/zinc/95/64/62/529956462.db2.gz LJFAXITUQYZQBN-CQSZACIVSA-N 0 3 319.405 0.653 20 70 DCIDHN CCC(=O)N1CC[C@H](C(=O)NC2CCN(CCOC)CC2)C1 ZINC000160378330 291238062 /nfs/dbraw/zinc/23/80/62/291238062.db2.gz YIFHVWMZYUIKTP-ZDUSSCGKSA-N 0 3 311.426 0.472 20 70 DCIDHN CN(CC(C)(C)CN1CCOCC1)C(=O)CCc1nc[nH]n1 ZINC000160307374 291238384 /nfs/dbraw/zinc/23/83/84/291238384.db2.gz PPZCQDALOUQJQU-UHFFFAOYSA-N 0 3 309.414 0.554 20 70 DCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000160579225 396074402 /nfs/dbraw/zinc/07/44/02/396074402.db2.gz MPRHKCXPCSMDJQ-CJNGLKHVSA-N 0 3 320.389 0.789 20 70 DCIDHN CN(CC1CCN(C)CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161012851 158356395 /nfs/dbraw/zinc/35/63/95/158356395.db2.gz HZKRCNDLYYRUAA-ZDUSSCGKSA-N 0 3 306.414 0.576 20 70 DCIDHN COCCN(CC[C@@H]1CCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161391098 416012178 /nfs/dbraw/zinc/01/21/78/416012178.db2.gz KETIIOOQQGUKPB-UONOGXRCSA-N 0 3 304.456 0.606 20 70 DCIDHN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)CCNC)c1C ZINC000159685373 521366809 /nfs/dbraw/zinc/36/68/09/521366809.db2.gz XKPALQWWRXPRMP-UHFFFAOYSA-N 0 3 317.411 0.648 20 70 DCIDHN [NH3+]CCCNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000160046310 534611329 /nfs/dbraw/zinc/61/13/29/534611329.db2.gz XLHLCRUZKDENSJ-UHFFFAOYSA-N 0 3 321.349 0.098 20 70 DCIDHN CSCC[C@@H](N)C(=O)NCCCNC(=O)c1occc1C ZINC000161448085 525543237 /nfs/dbraw/zinc/54/32/37/525543237.db2.gz YTLQWAKJXQUXPX-LLVKDONJSA-N 0 3 313.423 0.905 20 70 DCIDHN O=C(Cc1cn2ccsc2n1)NC[C@H](O)CN1CCCCC1 ZINC000160380166 237081265 /nfs/dbraw/zinc/08/12/65/237081265.db2.gz GRPBAGOLMSZXBA-ZDUSSCGKSA-N 0 3 322.434 0.901 20 70 DCIDHN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160770223 396075430 /nfs/dbraw/zinc/07/54/30/396075430.db2.gz UWYKCCOAGHWCLD-ZIAGYGMSSA-N 0 3 308.426 0.638 20 70 DCIDHN COCCN1CCC(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000160046774 158353530 /nfs/dbraw/zinc/35/35/30/158353530.db2.gz QIULXSUBUDXRIB-HIFRSBDPSA-N 0 3 313.442 0.900 20 70 DCIDHN Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000161438114 158357400 /nfs/dbraw/zinc/35/74/00/158357400.db2.gz PWCUHUSSPNBLHN-CYBMUJFWSA-N 0 3 304.387 0.725 20 70 DCIDHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000161251326 158357656 /nfs/dbraw/zinc/35/76/56/158357656.db2.gz FGULJEHVTUISKE-KBPBESRZSA-N 0 3 319.405 0.780 20 70 DCIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000160517257 416006731 /nfs/dbraw/zinc/00/67/31/416006731.db2.gz XVBYKNUDKWVMOE-QWRGUYRKSA-N 0 3 324.425 0.605 20 70 DCIDHN O=C(CNC(=O)c1ccccc1)NCC1CCN(CCO)CC1 ZINC000160662071 416010084 /nfs/dbraw/zinc/01/00/84/416010084.db2.gz WHBXAAJWCGBJMP-UHFFFAOYSA-N 0 3 319.405 0.237 20 70 DCIDHN CSCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159556254 525546784 /nfs/dbraw/zinc/54/67/84/525546784.db2.gz KJHLFXRFUMUDNZ-OLZOCXBDSA-N 0 3 307.419 0.989 20 70 DCIDHN CC(C)CCn1cc(C(=O)NC[C@@H](O)CN2CCCCC2)nn1 ZINC000160262530 527878085 /nfs/dbraw/zinc/87/80/85/527878085.db2.gz BDROHXZGLWVBAC-CQSZACIVSA-N 0 3 323.441 0.901 20 70 DCIDHN CN(C)c1ncccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160096499 529813825 /nfs/dbraw/zinc/81/38/25/529813825.db2.gz AUROBPDRQJPASU-CYBMUJFWSA-N 0 3 306.410 0.724 20 70 DCIDHN C[C@H]1OCCN(C(=O)NCCCCN2CCN(C)CC2)[C@H]1C ZINC000160069265 291237630 /nfs/dbraw/zinc/23/76/30/291237630.db2.gz FMYJXJWJSKTHTO-LSDHHAIUSA-N 0 3 312.458 0.833 20 70 DCIDHN CN(C)CCn1ccc(NC(=O)c2cnc3c(c2)ncn3C)n1 ZINC000159755205 396070117 /nfs/dbraw/zinc/07/01/17/396070117.db2.gz YQRYNRICFXCZFS-UHFFFAOYSA-N 0 3 313.365 0.979 20 70 DCIDHN O=C(CNC[C@@H]1CCCO1)NCCCOC[C@@H]1CCOC1 ZINC000160585125 396074186 /nfs/dbraw/zinc/07/41/86/396074186.db2.gz URQSRUDPPOHZQP-KBPBESRZSA-N 0 3 300.399 0.314 20 70 DCIDHN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000161390205 396076115 /nfs/dbraw/zinc/07/61/15/396076115.db2.gz CPUYJSFGQKDVCR-CYBMUJFWSA-N 0 3 319.409 0.826 20 70 DCIDHN CNC(=O)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000159566653 158352896 /nfs/dbraw/zinc/35/28/96/158352896.db2.gz RWURHPVZOSNNFZ-HIFRSBDPSA-N 0 3 318.421 0.942 20 70 DCIDHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)Cc1nccn1C ZINC000161194527 416011475 /nfs/dbraw/zinc/01/14/75/416011475.db2.gz UNMFGZXYYRKAKG-LBPRGKRZSA-N 0 3 313.423 0.982 20 70 DCIDHN CSCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159555985 525546585 /nfs/dbraw/zinc/54/65/85/525546585.db2.gz KJHLFXRFUMUDNZ-CHWSQXEVSA-N 0 3 307.419 0.989 20 70 DCIDHN Cc1c(NC(=O)C(=O)NCCN(C)C)cnn1-c1ccccc1 ZINC000161130532 525827934 /nfs/dbraw/zinc/82/79/34/525827934.db2.gz WXHVIOPRBHDTOF-UHFFFAOYSA-N 0 3 315.377 0.797 20 70 DCIDHN COc1cccc(O[C@H](C)CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000161130912 526238924 /nfs/dbraw/zinc/23/89/24/526238924.db2.gz WPJUHLJNQMQCHE-IUODEOHRSA-N 0 3 308.378 0.957 20 70 DCIDHN C[C@@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CN(C)CCO1 ZINC000160238355 545861038 /nfs/dbraw/zinc/86/10/38/545861038.db2.gz MUSSECHFTQSRCT-OCCSQVGLSA-N 0 3 324.429 0.285 20 70 DCIDHN CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000160992257 291239727 /nfs/dbraw/zinc/23/97/27/291239727.db2.gz JWPUYMVRFFSOGX-ZDUSSCGKSA-N 0 3 324.425 0.555 20 70 DCIDHN CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000160992257 291239730 /nfs/dbraw/zinc/23/97/30/291239730.db2.gz JWPUYMVRFFSOGX-ZDUSSCGKSA-N 0 3 324.425 0.555 20 70 DCIDHN COCC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000159806477 396071083 /nfs/dbraw/zinc/07/10/83/396071083.db2.gz BLYORFQWVBXOCZ-ZDUSSCGKSA-N 0 3 311.426 0.424 20 70 DCIDHN COCCN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160638561 396073996 /nfs/dbraw/zinc/07/39/96/396073996.db2.gz XCVJINSUHIZCOA-OAHLLOKOSA-N 0 3 310.442 0.444 20 70 DCIDHN CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160637461 396074136 /nfs/dbraw/zinc/07/41/36/396074136.db2.gz DDTKIIIAGSYBRM-HUUCEWRRSA-N 0 3 313.442 0.803 20 70 DCIDHN CCCN(C)S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 ZINC000161442426 158357696 /nfs/dbraw/zinc/35/76/96/158357696.db2.gz WTDRWUHBBUOPSE-CYBMUJFWSA-N 0 3 321.487 0.598 20 70 DCIDHN CN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000160962394 288815160 /nfs/dbraw/zinc/81/51/60/288815160.db2.gz WWMZGQPNYOLVKB-JHJVBQTASA-N 0 3 318.439 0.179 20 70 DCIDHN CCN(C)CCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160405443 520225324 /nfs/dbraw/zinc/22/53/24/520225324.db2.gz XTVDJNKIMSVMQE-UHFFFAOYSA-N 0 3 309.414 0.936 20 70 DCIDHN