smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)no1 ZINC000159792461 197363983 /nfs/dbraw/zinc/36/39/83/197363983.db2.gz SMQFRMLESIEVOI-UHFFFAOYSA-N 1 1 308.407 2.331 10 70 DEIEMO Cc1cc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)no1 ZINC000159792461 197363985 /nfs/dbraw/zinc/36/39/85/197363985.db2.gz SMQFRMLESIEVOI-UHFFFAOYSA-N 1 1 308.407 2.331 10 70 DEIEMO CCOC(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159484398 402324130 /nfs/dbraw/zinc/32/41/30/402324130.db2.gz TWKJARJQTXNJND-KBPBESRZSA-N 1 1 308.397 2.456 10 70 DEIEMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161062977 402371623 /nfs/dbraw/zinc/37/16/23/402371623.db2.gz SHWCIHJTAOYMBF-LZLYRXPVSA-N 1 1 308.466 2.260 10 70 DEIEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cc1F ZINC000160002411 197379417 /nfs/dbraw/zinc/37/94/17/197379417.db2.gz ZWOPMBJOHUWQQS-AWEZNQCLSA-N 1 1 307.413 2.448 10 70 DEIEMO CCN(CC)c1ncc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159508326 197358391 /nfs/dbraw/zinc/35/83/91/197358391.db2.gz PVLHSIHOLNYJPV-RYUDHWBXSA-N 1 1 310.467 2.075 10 70 DEIEMO C[C@@H]1OCC[C@H]1[N@@H+](C)CCCOc1ccccc1C(N)=S ZINC000159488088 197357518 /nfs/dbraw/zinc/35/75/18/197357518.db2.gz IPMBNMAAXKIVBU-GXTWGEPZSA-N 1 1 308.447 2.199 10 70 DEIEMO CCC[C@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)[NH+](C)C ZINC000160394684 402343635 /nfs/dbraw/zinc/34/36/35/402343635.db2.gz DBKHWMAFBDHDBP-HUUCEWRRSA-N 1 1 307.438 2.263 10 70 DEIEMO COC(=O)c1csc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000161067790 402371333 /nfs/dbraw/zinc/37/13/33/402371333.db2.gz ZQAROMUSGXRXDG-GFCCVEGCSA-N 1 1 323.418 2.237 10 70 DEIEMO CC(=O)N1CC[C@@H](C[N@H+](C)CCN(C)Cc2ccc(F)cc2)C1 ZINC000161024382 519612137 /nfs/dbraw/zinc/61/21/37/519612137.db2.gz QVHPFBVESJINCU-KRWDZBQOSA-N 1 1 321.440 2.058 10 70 DEIEMO Clc1ccc(-c2cncn2CCC[NH+]2CCNCC2)cc1 ZINC000159629182 186132144 /nfs/dbraw/zinc/13/21/44/186132144.db2.gz DUHRIQQBAYHVTL-UHFFFAOYSA-N 1 1 304.825 2.499 10 70 DEIEMO CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159891214 197371847 /nfs/dbraw/zinc/37/18/47/197371847.db2.gz CAZWEUFIPHXSDZ-LBPRGKRZSA-N 1 1 305.447 2.237 10 70 DEIEMO Cc1cc(Oc2cc3c(cc2Br)[C@@H]([NH3+])C(=O)N3)n[nH]1 ZINC000159445792 197353905 /nfs/dbraw/zinc/35/39/05/197353905.db2.gz CAGDYKKXQTXQLW-LLVKDONJSA-N 1 1 323.150 2.225 10 70 DEIEMO COc1cccc(Cl)c1CC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000160808501 402361454 /nfs/dbraw/zinc/36/14/54/402361454.db2.gz YUVKAKPXFXDASP-TXEJJXNPSA-N 1 1 310.825 2.442 10 70 DEIEMO O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccccc1 ZINC000160826484 402362089 /nfs/dbraw/zinc/36/20/89/402362089.db2.gz FODMEYRDCNLCFF-SZVBFZGTSA-N 1 1 314.429 2.419 10 70 DEIEMO Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)NC(C)C)C2)n1 ZINC000160912744 402365219 /nfs/dbraw/zinc/36/52/19/402365219.db2.gz YNSRLXOWVPHANU-OAHLLOKOSA-N 1 1 304.438 2.039 10 70 DEIEMO CC(C)CCn1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000160933265 402365903 /nfs/dbraw/zinc/36/59/03/402365903.db2.gz JDOCMFSOXPKONC-UHFFFAOYSA-N 1 1 305.426 2.241 10 70 DEIEMO CC1(O)CC[NH+](CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000161190563 402377138 /nfs/dbraw/zinc/37/71/38/402377138.db2.gz MSYISANXOWTSPE-ZDUSSCGKSA-N 1 1 308.447 2.258 10 70 DEIEMO CCOCC[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1CC ZINC000161344920 402384264 /nfs/dbraw/zinc/38/42/64/402384264.db2.gz QARQWKOCCCTBQZ-SFHVURJKSA-N 1 1 311.514 2.295 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000160216025 402338206 /nfs/dbraw/zinc/33/82/06/402338206.db2.gz FUVGIHMBBODMMP-IIAWOOMASA-N 1 1 311.470 2.362 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000161279277 402380380 /nfs/dbraw/zinc/38/03/80/402380380.db2.gz BRFKTXJYGIYHRQ-GJZGRUSLSA-N 1 1 321.469 2.028 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000161279277 402380382 /nfs/dbraw/zinc/38/03/82/402380382.db2.gz BRFKTXJYGIYHRQ-GJZGRUSLSA-N 1 1 321.469 2.028 10 70 DEIEMO CC(C)[N@H+](CCc1nccs1)C[C@@H](C)CS(C)(=O)=O ZINC000159926911 282176635 /nfs/dbraw/zinc/17/66/35/282176635.db2.gz YYAZINDTUKIDMX-GFCCVEGCSA-N 1 1 304.481 2.077 10 70 DEIEMO CNc1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)nc(SC)[nH+]1 ZINC000160935792 197451689 /nfs/dbraw/zinc/45/16/89/197451689.db2.gz URLMZSVBGVSMBA-ABAIWWIYSA-N 1 1 308.451 2.372 10 70 DEIEMO CNc1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)[nH+]c(SC)n1 ZINC000160935792 197451691 /nfs/dbraw/zinc/45/16/91/197451691.db2.gz URLMZSVBGVSMBA-ABAIWWIYSA-N 1 1 308.451 2.372 10 70 DEIEMO CCCNc1cc(NCC(=O)NC(C)(C)C)nc(SC)[nH+]1 ZINC000159995661 197378664 /nfs/dbraw/zinc/37/86/64/197378664.db2.gz VQAACYWURMULGC-UHFFFAOYSA-N 1 1 311.455 2.347 10 70 DEIEMO CCCNc1cc(NCC(=O)NC(C)(C)C)[nH+]c(SC)n1 ZINC000159995661 197378666 /nfs/dbraw/zinc/37/86/66/197378666.db2.gz VQAACYWURMULGC-UHFFFAOYSA-N 1 1 311.455 2.347 10 70 DEIEMO CCN(CC)c1ncc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159508171 197359151 /nfs/dbraw/zinc/35/91/51/197359151.db2.gz PVLHSIHOLNYJPV-NWDGAFQWSA-N 1 1 310.467 2.075 10 70 DEIEMO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159537875 402325306 /nfs/dbraw/zinc/32/53/06/402325306.db2.gz NYTDCARMZYRMCX-BETUJISGSA-N 1 1 322.453 2.071 10 70 DEIEMO Cc1n[nH]c(C(C)C)c1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159537875 402325309 /nfs/dbraw/zinc/32/53/09/402325309.db2.gz NYTDCARMZYRMCX-BETUJISGSA-N 1 1 322.453 2.071 10 70 DEIEMO Cc1n[nH]c(C(C)C)c1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159537875 402325311 /nfs/dbraw/zinc/32/53/11/402325311.db2.gz NYTDCARMZYRMCX-BETUJISGSA-N 1 1 322.453 2.071 10 70 DEIEMO c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000160350896 402342275 /nfs/dbraw/zinc/34/22/75/402342275.db2.gz XAMPJJDNKHHIPP-MRXNPFEDSA-N 1 1 314.433 2.021 10 70 DEIEMO CCC(CC)CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000160573535 402351744 /nfs/dbraw/zinc/35/17/44/402351744.db2.gz QGQHDSUCXBCGHN-UHFFFAOYSA-N 1 1 321.469 2.074 10 70 DEIEMO CCC(CC)CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000160573535 402351748 /nfs/dbraw/zinc/35/17/48/402351748.db2.gz QGQHDSUCXBCGHN-UHFFFAOYSA-N 1 1 321.469 2.074 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000161279142 402379835 /nfs/dbraw/zinc/37/98/35/402379835.db2.gz BRFKTXJYGIYHRQ-LSDHHAIUSA-N 1 1 321.469 2.028 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000161279142 402379839 /nfs/dbraw/zinc/37/98/39/402379839.db2.gz BRFKTXJYGIYHRQ-LSDHHAIUSA-N 1 1 321.469 2.028 10 70 DEIEMO C[C@@H]1OCC[C@H]1[N@@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491643 197358128 /nfs/dbraw/zinc/35/81/28/197358128.db2.gz ZBIYVCIHMWFVEI-SWLSCSKDSA-N 1 1 308.447 2.199 10 70 DEIEMO CCc1nc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cs1 ZINC000159401144 197350843 /nfs/dbraw/zinc/35/08/43/197350843.db2.gz OTOCIJUSEZTELL-ZDUSSCGKSA-N 1 1 310.467 2.187 10 70 DEIEMO c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000160351016 402342136 /nfs/dbraw/zinc/34/21/36/402342136.db2.gz XAMPJJDNKHHIPP-INIZCTEOSA-N 1 1 314.433 2.021 10 70 DEIEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(CCOC)CC1 ZINC000160973471 402367734 /nfs/dbraw/zinc/36/77/34/402367734.db2.gz ZPXRVFQVALEYCW-LSDHHAIUSA-N 1 1 309.454 2.071 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000161316571 402382018 /nfs/dbraw/zinc/38/20/18/402382018.db2.gz XBYQODFBSMMECX-CQSZACIVSA-N 1 1 313.405 2.116 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000161316571 402382021 /nfs/dbraw/zinc/38/20/21/402382021.db2.gz XBYQODFBSMMECX-CQSZACIVSA-N 1 1 313.405 2.116 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1 ZINC000160303143 402340414 /nfs/dbraw/zinc/34/04/14/402340414.db2.gz TVJPGHDVAKSMPJ-MRXNPFEDSA-N 1 1 310.463 2.226 10 70 DEIEMO O=C1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CCN1 ZINC000160472661 402347147 /nfs/dbraw/zinc/34/71/47/402347147.db2.gz ARNUBOXNMBHKII-UHFFFAOYSA-N 1 1 303.189 2.194 10 70 DEIEMO CCC(CC)CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000160564822 402351149 /nfs/dbraw/zinc/35/11/49/402351149.db2.gz KZEBAXRAXBBCPR-QGZVFWFLSA-N 1 1 324.513 2.234 10 70 DEIEMO COC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160604326 402353424 /nfs/dbraw/zinc/35/34/24/402353424.db2.gz YNFBZKWHQLOVDR-MRXNPFEDSA-N 1 1 318.417 2.323 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccoc2C(=O)OC)C1 ZINC000161291233 402380686 /nfs/dbraw/zinc/38/06/86/402380686.db2.gz KLEYSQQEUOGROE-ZDUSSCGKSA-N 1 1 318.377 2.057 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccoc2C(=O)OC)C1 ZINC000161291233 402380690 /nfs/dbraw/zinc/38/06/90/402380690.db2.gz KLEYSQQEUOGROE-ZDUSSCGKSA-N 1 1 318.377 2.057 10 70 DEIEMO CCCCCCNC(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161300859 402381251 /nfs/dbraw/zinc/38/12/51/402381251.db2.gz XZPFYPXHSXCUFN-HNNXBMFYSA-N 1 1 321.469 2.174 10 70 DEIEMO CCCCCCNC(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161300859 402381252 /nfs/dbraw/zinc/38/12/52/402381252.db2.gz XZPFYPXHSXCUFN-HNNXBMFYSA-N 1 1 321.469 2.174 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000161416503 402386369 /nfs/dbraw/zinc/38/63/69/402386369.db2.gz AZNUSYWKBQVJHM-CQSZACIVSA-N 1 1 310.405 2.325 10 70 DEIEMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000161505704 402389834 /nfs/dbraw/zinc/38/98/34/402389834.db2.gz SMSPYRLRDNPGNY-ZBFHGGJFSA-N 1 1 321.421 2.155 10 70 DEIEMO CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1ncc(C)s1 ZINC000161500078 539592146 /nfs/dbraw/zinc/59/21/46/539592146.db2.gz KORNZSBIGRCPPG-CYBMUJFWSA-N 1 1 310.467 2.120 10 70 DEIEMO CC[N@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160549485 402350886 /nfs/dbraw/zinc/35/08/86/402350886.db2.gz RHMQKMGIAIGMKG-HNNXBMFYSA-N 1 1 311.447 2.321 10 70 DEIEMO CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160549485 402350888 /nfs/dbraw/zinc/35/08/88/402350888.db2.gz RHMQKMGIAIGMKG-HNNXBMFYSA-N 1 1 311.447 2.321 10 70 DEIEMO Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)NC(C)C)C2)n1 ZINC000160912623 402365453 /nfs/dbraw/zinc/36/54/53/402365453.db2.gz YNSRLXOWVPHANU-HNNXBMFYSA-N 1 1 304.438 2.039 10 70 DEIEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000159709362 402328896 /nfs/dbraw/zinc/32/88/96/402328896.db2.gz ADGIYBDAJWQTQD-XKQJLSEDSA-N 1 1 302.418 2.462 10 70 DEIEMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000159709362 402328899 /nfs/dbraw/zinc/32/88/99/402328899.db2.gz ADGIYBDAJWQTQD-XKQJLSEDSA-N 1 1 302.418 2.462 10 70 DEIEMO CC(C)CN(C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000160718051 277371159 /nfs/dbraw/zinc/37/11/59/277371159.db2.gz MDGJSSZKPFEURK-QAPCUYQASA-N 1 1 308.466 2.260 10 70 DEIEMO C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1cccnc1 ZINC000159609642 526242402 /nfs/dbraw/zinc/24/24/02/526242402.db2.gz NSEAIRKZDIJWSH-OAHLLOKOSA-N 1 1 319.449 2.002 10 70 DEIEMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000159735826 402329526 /nfs/dbraw/zinc/32/95/26/402329526.db2.gz UZJGFOGPJRDPKN-OAHLLOKOSA-N 1 1 320.437 2.152 10 70 DEIEMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000159937884 402334405 /nfs/dbraw/zinc/33/44/05/402334405.db2.gz LPQAFSYUQQHDNG-HOTGVXAUSA-N 1 1 319.453 2.104 10 70 DEIEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(F)nc2)CC1 ZINC000159479122 197356556 /nfs/dbraw/zinc/35/65/56/197356556.db2.gz BXDDJRGAXYWONK-UHFFFAOYSA-N 1 1 317.368 2.441 10 70 DEIEMO C[C@H]1OCC[C@H]1N(C)c1c(C(N)=S)c[nH+]c2ccccc21 ZINC000159451325 197354121 /nfs/dbraw/zinc/35/41/21/197354121.db2.gz UDENUPNAYCNADX-QMTHXVAHSA-N 1 1 301.415 2.483 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1 ZINC000160290245 402340079 /nfs/dbraw/zinc/34/00/79/402340079.db2.gz APTGOVNGTNOXIQ-QGZVFWFLSA-N 1 1 324.490 2.269 10 70 DEIEMO CCCn1nccc1NC(=O)N(C)CCCn1cc[nH+]c1C ZINC000160899490 402364844 /nfs/dbraw/zinc/36/48/44/402364844.db2.gz KRSZYQUKTAKQQW-UHFFFAOYSA-N 1 1 304.398 2.352 10 70 DEIEMO CN(CC[N@@H+](C)CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000161210088 402377978 /nfs/dbraw/zinc/37/79/78/402377978.db2.gz VCNKJOWPTIANKP-UHFFFAOYSA-N 1 1 304.413 2.476 10 70 DEIEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160284662 402339715 /nfs/dbraw/zinc/33/97/15/402339715.db2.gz UNGGEJQDQFJNEV-VQHPVUNQSA-N 1 1 321.465 2.212 10 70 DEIEMO Cc1nccn1CCCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000159856519 197369162 /nfs/dbraw/zinc/36/91/62/197369162.db2.gz MEJGHODWLRIYGF-GOSISDBHSA-N 1 1 320.481 2.158 10 70 DEIEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160398290 402344297 /nfs/dbraw/zinc/34/42/97/402344297.db2.gz PBAAPCVUKQTCHV-JTQLQIEISA-N 1 1 319.331 2.051 10 70 DEIEMO CCCn1c(C)nnc1CN1CCC[C@H]1Cn1cc[nH+]c1C ZINC000160685146 402356911 /nfs/dbraw/zinc/35/69/11/402356911.db2.gz TXFLDAQVPKFWIN-HNNXBMFYSA-N 1 1 302.426 2.166 10 70 DEIEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)no1 ZINC000161051421 402370689 /nfs/dbraw/zinc/37/06/89/402370689.db2.gz GDEIDMHHMIWQGZ-AWEZNQCLSA-N 1 1 303.410 2.183 10 70 DEIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1nccs1 ZINC000161138558 402374854 /nfs/dbraw/zinc/37/48/54/402374854.db2.gz HFPNKGXHTAIYSD-VHSXEESVSA-N 1 1 312.439 2.197 10 70 DEIEMO Clc1cccc(-c2cncn2CCC[NH+]2CCNCC2)c1 ZINC000159628339 186132167 /nfs/dbraw/zinc/13/21/67/186132167.db2.gz HKGTZFMKURWGAF-UHFFFAOYSA-N 1 1 304.825 2.499 10 70 DEIEMO CC[N@@H+](CCc1nccs1)C[C@@H](O)COCc1ccco1 ZINC000159435364 402323506 /nfs/dbraw/zinc/32/35/06/402323506.db2.gz QLRHOKDHUQYVAT-CYBMUJFWSA-N 1 1 310.419 2.178 10 70 DEIEMO CCc1nnc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)[nH]1 ZINC000159458316 402324164 /nfs/dbraw/zinc/32/41/64/402324164.db2.gz ITFGZPPKANXXQB-CYBMUJFWSA-N 1 1 317.412 2.385 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C1CCOCC1 ZINC000160463776 402346469 /nfs/dbraw/zinc/34/64/69/402346469.db2.gz SUGHPKGASKYBKC-GOEBONIOSA-N 1 1 311.470 2.221 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C1CCOCC1 ZINC000160463908 402346617 /nfs/dbraw/zinc/34/66/17/402346617.db2.gz SUGHPKGASKYBKC-GDBMZVCRSA-N 1 1 311.470 2.221 10 70 DEIEMO CC(C)NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160615420 402353844 /nfs/dbraw/zinc/35/38/44/402353844.db2.gz FJOYYTYKEUEKCZ-AWEZNQCLSA-N 1 1 319.453 2.056 10 70 DEIEMO CC(C)NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160615420 402353847 /nfs/dbraw/zinc/35/38/47/402353847.db2.gz FJOYYTYKEUEKCZ-AWEZNQCLSA-N 1 1 319.453 2.056 10 70 DEIEMO COC(=O)[C@H]1CCCCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160668028 402356064 /nfs/dbraw/zinc/35/60/64/402356064.db2.gz BEGQGZSUSMZBCE-MRXNPFEDSA-N 1 1 308.397 2.285 10 70 DEIEMO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160983155 402368316 /nfs/dbraw/zinc/36/83/16/402368316.db2.gz XGSLLQDPYZJLTJ-IEBWSBKVSA-N 1 1 316.445 2.238 10 70 DEIEMO CC(C)Nc1ncccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161156127 402375554 /nfs/dbraw/zinc/37/55/54/402375554.db2.gz KACQNKPWEAUPPE-ZFWWWQNUSA-N 1 1 304.438 2.360 10 70 DEIEMO CC[C@](C)(O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000161294511 402381244 /nfs/dbraw/zinc/38/12/44/402381244.db2.gz FBEYEGYVQFTVIA-KRWDZBQOSA-N 1 1 304.390 2.162 10 70 DEIEMO COCCOC1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000159722124 402329157 /nfs/dbraw/zinc/32/91/57/402329157.db2.gz JHBFNNGZEOGLKF-UHFFFAOYSA-N 1 1 324.440 2.385 10 70 DEIEMO Cc1cc(C)nc(SCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000161268062 524598991 /nfs/dbraw/zinc/59/89/91/524598991.db2.gz PHZIAALKIHAZOS-FZMZJTMJSA-N 1 1 322.478 2.030 10 70 DEIEMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159901030 197372099 /nfs/dbraw/zinc/37/20/99/197372099.db2.gz IYHQNWXRJNHIDY-GFCCVEGCSA-N 1 1 305.447 2.381 10 70 DEIEMO CC(C)COC[C@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159867805 197370434 /nfs/dbraw/zinc/37/04/34/197370434.db2.gz XYIQISNHQQZBSF-CQSZACIVSA-N 1 1 300.468 2.430 10 70 DEIEMO Cc1n[nH]c(C(C)C)c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000159538075 402325213 /nfs/dbraw/zinc/32/52/13/402325213.db2.gz NYTDCARMZYRMCX-STQMWFEESA-N 1 1 322.453 2.071 10 70 DEIEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574379 402326005 /nfs/dbraw/zinc/32/60/05/402326005.db2.gz KGXGSPVLUXLBRJ-DOMZBBRYSA-N 1 1 302.418 2.486 10 70 DEIEMO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](OC)C2)o1 ZINC000160441975 402346093 /nfs/dbraw/zinc/34/60/93/402346093.db2.gz JLKUOUJVXSAKEN-GFCCVEGCSA-N 1 1 303.362 2.356 10 70 DEIEMO COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](OC)C2)o1 ZINC000160441975 402346096 /nfs/dbraw/zinc/34/60/96/402346096.db2.gz JLKUOUJVXSAKEN-GFCCVEGCSA-N 1 1 303.362 2.356 10 70 DEIEMO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1nccs1 ZINC000161061774 402371013 /nfs/dbraw/zinc/37/10/13/402371013.db2.gz KMEUNXPLCRZJIY-MNOVXSKESA-N 1 1 312.439 2.054 10 70 DEIEMO CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000161349039 402383883 /nfs/dbraw/zinc/38/38/83/402383883.db2.gz FGDBZSXLBOWGQN-SFHVURJKSA-N 1 1 317.477 2.451 10 70 DEIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696459 186136444 /nfs/dbraw/zinc/13/64/44/186136444.db2.gz BLCNULBGWNEIOL-TZMCWYRMSA-N 1 1 316.380 2.097 10 70 DEIEMO C[C@H]1OCC[C@H]1[N@@H+](C)CCCOc1ccccc1C(N)=S ZINC000159487941 197357876 /nfs/dbraw/zinc/35/78/76/197357876.db2.gz IPMBNMAAXKIVBU-TZMCWYRMSA-N 1 1 308.447 2.199 10 70 DEIEMO CC[N@@H+](CCc1nccs1)C[C@H](O)COCc1ccco1 ZINC000159435238 402323215 /nfs/dbraw/zinc/32/32/15/402323215.db2.gz QLRHOKDHUQYVAT-ZDUSSCGKSA-N 1 1 310.419 2.178 10 70 DEIEMO CN(CC[N@H+]1CCC[C@H](n2cncn2)C1)Cc1ccc(F)cc1 ZINC000159465790 402323972 /nfs/dbraw/zinc/32/39/72/402323972.db2.gz ZUBUSFQNDHMYKR-KRWDZBQOSA-N 1 1 317.412 2.186 10 70 DEIEMO C[N@H+](CCN1CCC[C@H](n2cncn2)C1)Cc1ccc(F)cc1 ZINC000159465790 402323973 /nfs/dbraw/zinc/32/39/73/402323973.db2.gz ZUBUSFQNDHMYKR-KRWDZBQOSA-N 1 1 317.412 2.186 10 70 DEIEMO C[N@@H+](CCN1CCC[C@H](n2cncn2)C1)Cc1ccc(F)cc1 ZINC000159465790 402323975 /nfs/dbraw/zinc/32/39/75/402323975.db2.gz ZUBUSFQNDHMYKR-KRWDZBQOSA-N 1 1 317.412 2.186 10 70 DEIEMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@](C)(O)CC ZINC000160519472 402349073 /nfs/dbraw/zinc/34/90/73/402349073.db2.gz MDKRMXUKIMBPMC-QGZVFWFLSA-N 1 1 321.421 2.066 10 70 DEIEMO Cc1noc(Cl)c1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161398103 402386608 /nfs/dbraw/zinc/38/66/08/402386608.db2.gz SJXJCIRMZFHSLZ-GWCFXTLKSA-N 1 1 313.829 2.414 10 70 DEIEMO Cc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160938749 524417656 /nfs/dbraw/zinc/41/76/56/524417656.db2.gz PAMPHVJTTXYYTF-MJGOQNOKSA-N 1 1 316.445 2.238 10 70 DEIEMO CCC[C@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)[NH+](C)C ZINC000161299450 283785628 /nfs/dbraw/zinc/78/56/28/283785628.db2.gz LZDRZQGOIDPELF-CVEARBPZSA-N 1 1 309.429 2.275 10 70 DEIEMO C[C@@H]1OCC[C@@H]1N(C)c1c(C(N)=S)c[nH+]c2ccccc21 ZINC000159451727 197354437 /nfs/dbraw/zinc/35/44/37/197354437.db2.gz UDENUPNAYCNADX-HZMBPMFUSA-N 1 1 301.415 2.483 10 70 DEIEMO CCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+](C)C ZINC000161349181 402383818 /nfs/dbraw/zinc/38/38/18/402383818.db2.gz FGDBZSXLBOWGQN-GOSISDBHSA-N 1 1 317.477 2.451 10 70 DEIEMO COC(=O)c1cc(F)ccc1CSCC[NH+]1CCOCC1 ZINC000159939415 521870080 /nfs/dbraw/zinc/87/00/80/521870080.db2.gz VXVRFYUUHKOODP-UHFFFAOYSA-N 1 1 313.394 2.178 10 70 DEIEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000159548032 186126307 /nfs/dbraw/zinc/12/63/07/186126307.db2.gz SKXFQYSUWAOJRR-YPMHNXCESA-N 1 1 312.360 2.416 10 70 DEIEMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159532461 402325178 /nfs/dbraw/zinc/32/51/78/402325178.db2.gz JULHMLITUBKBHF-DZGCQCFKSA-N 1 1 312.417 2.267 10 70 DEIEMO O=C(/C=C/c1ccccc1Cl)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160425456 402344595 /nfs/dbraw/zinc/34/45/95/402344595.db2.gz DWSANHKCMTYEPC-PXTSUWAFSA-N 1 1 320.820 2.333 10 70 DEIEMO O=C(/C=C/c1ccccc1Cl)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160425456 402344597 /nfs/dbraw/zinc/34/45/97/402344597.db2.gz DWSANHKCMTYEPC-PXTSUWAFSA-N 1 1 320.820 2.333 10 70 DEIEMO CCCn1c(C)nnc1CN1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000160685006 276058128 /nfs/dbraw/zinc/05/81/28/276058128.db2.gz TXFLDAQVPKFWIN-OAHLLOKOSA-N 1 1 302.426 2.166 10 70 DEIEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cc1F ZINC000160002288 521631144 /nfs/dbraw/zinc/63/11/44/521631144.db2.gz ZWOPMBJOHUWQQS-CQSZACIVSA-N 1 1 307.413 2.448 10 70 DEIEMO CNC(=O)c1cccnc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000160230537 197394185 /nfs/dbraw/zinc/39/41/85/197394185.db2.gz ILSVKWXOTFSTCM-YOEHRIQHSA-N 1 1 324.428 2.374 10 70 DEIEMO CC(C)[N@H+](CCc1nccs1)C[C@H](C)CS(C)(=O)=O ZINC000159927030 197374086 /nfs/dbraw/zinc/37/40/86/197374086.db2.gz YYAZINDTUKIDMX-LBPRGKRZSA-N 1 1 304.481 2.077 10 70 DEIEMO CC(C)c1nccn1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161147072 402375461 /nfs/dbraw/zinc/37/54/61/402375461.db2.gz IFIREHKPJPTLSW-CABCVRRESA-N 1 1 306.454 2.242 10 70 DEIEMO CC(C)Nc1ncccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161155995 402375474 /nfs/dbraw/zinc/37/54/74/402375474.db2.gz KACQNKPWEAUPPE-HIFRSBDPSA-N 1 1 304.438 2.360 10 70 DEIEMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159908851 197372687 /nfs/dbraw/zinc/37/26/87/197372687.db2.gz FZXZFNPQXDRGJR-NWDGAFQWSA-N 1 1 305.447 2.380 10 70 DEIEMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159891190 197371775 /nfs/dbraw/zinc/37/17/75/197371775.db2.gz CPORHUVFJOILBU-DYVFJYSZSA-N 1 1 321.384 2.145 10 70 DEIEMO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](OC)C2)o1 ZINC000160441840 402345897 /nfs/dbraw/zinc/34/58/97/402345897.db2.gz JLKUOUJVXSAKEN-LBPRGKRZSA-N 1 1 303.362 2.356 10 70 DEIEMO COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](OC)C2)o1 ZINC000160441840 402345899 /nfs/dbraw/zinc/34/58/99/402345899.db2.gz JLKUOUJVXSAKEN-LBPRGKRZSA-N 1 1 303.362 2.356 10 70 DEIEMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC3(C)C)cc2)CC1 ZINC000160819745 402362120 /nfs/dbraw/zinc/36/21/20/402362120.db2.gz DWWVWXQHRXWIBX-HNNXBMFYSA-N 1 1 315.417 2.059 10 70 DEIEMO Cc1cc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)n(C)n1 ZINC000159896343 402332735 /nfs/dbraw/zinc/33/27/35/402332735.db2.gz FDFIEJRWTKZSMP-UHFFFAOYSA-N 1 1 321.450 2.077 10 70 DEIEMO Cc1cc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)n(C)n1 ZINC000159896343 402332737 /nfs/dbraw/zinc/33/27/37/402332737.db2.gz FDFIEJRWTKZSMP-UHFFFAOYSA-N 1 1 321.450 2.077 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1cccnc1 ZINC000160520389 519721705 /nfs/dbraw/zinc/72/17/05/519721705.db2.gz VXXPXUQBJUFFII-LSDHHAIUSA-N 1 1 305.422 2.086 10 70 DEIEMO Cc1nn(C)c2ncc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cc12 ZINC000160730905 197434960 /nfs/dbraw/zinc/43/49/60/197434960.db2.gz DHBIVVUTUAKABU-CRAIPNDOSA-N 1 1 314.433 2.404 10 70 DEIEMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159891318 197371594 /nfs/dbraw/zinc/37/15/94/197371594.db2.gz CPORHUVFJOILBU-SUMWQHHRSA-N 1 1 321.384 2.145 10 70 DEIEMO C[C@H]1OCC[C@H]1[N@@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491506 197358029 /nfs/dbraw/zinc/35/80/29/197358029.db2.gz ZBIYVCIHMWFVEI-IUODEOHRSA-N 1 1 308.447 2.199 10 70 DEIEMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160389056 402343396 /nfs/dbraw/zinc/34/33/96/402343396.db2.gz YIDZMASKLHKTSJ-HNNXBMFYSA-N 1 1 300.406 2.167 10 70 DEIEMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160389056 402343399 /nfs/dbraw/zinc/34/33/99/402343399.db2.gz YIDZMASKLHKTSJ-HNNXBMFYSA-N 1 1 300.406 2.167 10 70 DEIEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)no1 ZINC000161051291 402370959 /nfs/dbraw/zinc/37/09/59/402370959.db2.gz GDEIDMHHMIWQGZ-CQSZACIVSA-N 1 1 303.410 2.183 10 70 DEIEMO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161280076 402381003 /nfs/dbraw/zinc/38/10/03/402381003.db2.gz JHVDHYRUXGREOB-ZNMIVQPWSA-N 1 1 321.469 2.171 10 70 DEIEMO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161280076 402381007 /nfs/dbraw/zinc/38/10/07/402381007.db2.gz JHVDHYRUXGREOB-ZNMIVQPWSA-N 1 1 321.469 2.171 10 70 DEIEMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000161505851 402390096 /nfs/dbraw/zinc/39/00/96/402390096.db2.gz SMSPYRLRDNPGNY-HOCLYGCPSA-N 1 1 321.421 2.155 10 70 DEIEMO Cc1cc(C)nc(SCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000161267924 524600071 /nfs/dbraw/zinc/60/00/71/524600071.db2.gz PHZIAALKIHAZOS-SMDDNHRTSA-N 1 1 322.478 2.030 10 70 DEIEMO COCC[NH+]1[C@H](C)CN(c2nc(C(C)(C)C)ns2)C[C@H]1C ZINC000160081223 197384724 /nfs/dbraw/zinc/38/47/24/197384724.db2.gz XXSMSKUZXUGARF-VXGBXAGGSA-N 1 1 312.483 2.381 10 70 DEIEMO CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159891569 197372103 /nfs/dbraw/zinc/37/21/03/197372103.db2.gz KHOUMAUUZWMTAI-CYBMUJFWSA-N 1 1 305.447 2.237 10 70 DEIEMO C[C@H]1OCC[C@H]1[N@@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000159490955 197357575 /nfs/dbraw/zinc/35/75/75/197357575.db2.gz CTBPMIAQIPQNOC-IUODEOHRSA-N 1 1 308.447 2.199 10 70 DEIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574507 402325997 /nfs/dbraw/zinc/32/59/97/402325997.db2.gz KGXGSPVLUXLBRJ-WFASDCNBSA-N 1 1 302.418 2.486 10 70 DEIEMO COCCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000160759744 402359517 /nfs/dbraw/zinc/35/95/17/402359517.db2.gz GGPCRCSDKYKTFP-OAHLLOKOSA-N 1 1 311.470 2.223 10 70 DEIEMO C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)C1CCOCC1 ZINC000160824229 402362147 /nfs/dbraw/zinc/36/21/47/402362147.db2.gz IQYGUNHHGRUAIF-CQSZACIVSA-N 1 1 319.449 2.264 10 70 DEIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696599 186136333 /nfs/dbraw/zinc/13/63/33/186136333.db2.gz BLCNULBGWNEIOL-GXTWGEPZSA-N 1 1 316.380 2.097 10 70 DEIEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)CCOc1ccc(CC(N)=S)cc1 ZINC000159489811 197357755 /nfs/dbraw/zinc/35/77/55/197357755.db2.gz RNGLOXVLOICLFT-WFASDCNBSA-N 1 1 308.447 2.003 10 70 DEIEMO Cc1cc([C@H](Cc2[nH+]ccn2C)NN)sc1Br ZINC000159443818 197354730 /nfs/dbraw/zinc/35/47/30/197354730.db2.gz WHUZWHJFUPQQBA-QMMMGPOBSA-N 1 1 315.240 2.300 10 70 DEIEMO Cn1c(C[N@H+](C[C@H]2CCOC2)C2CC2)nnc1-c1ccccc1 ZINC000160789208 402361012 /nfs/dbraw/zinc/36/10/12/402361012.db2.gz HYDFTOQIBNZWDF-CQSZACIVSA-N 1 1 312.417 2.483 10 70 DEIEMO Cn1c(C[N@@H+](C[C@H]2CCOC2)C2CC2)nnc1-c1ccccc1 ZINC000160789208 402361014 /nfs/dbraw/zinc/36/10/14/402361014.db2.gz HYDFTOQIBNZWDF-CQSZACIVSA-N 1 1 312.417 2.483 10 70 DEIEMO CC[C@](C)(O)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160821513 402361920 /nfs/dbraw/zinc/36/19/20/402361920.db2.gz ZPSMRUWXXHLWKE-BBRMVZONSA-N 1 1 300.443 2.479 10 70 DEIEMO C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)C1CCOCC1 ZINC000160824096 402362044 /nfs/dbraw/zinc/36/20/44/402362044.db2.gz IQYGUNHHGRUAIF-AWEZNQCLSA-N 1 1 319.449 2.264 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000161286130 402380489 /nfs/dbraw/zinc/38/04/89/402380489.db2.gz REXNIQCIEHZVOL-ZBFHGGJFSA-N 1 1 318.396 2.350 10 70 DEIEMO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161304062 402381632 /nfs/dbraw/zinc/38/16/32/402381632.db2.gz WVCAFWYMIYIPJW-HNNXBMFYSA-N 1 1 321.469 2.126 10 70 DEIEMO CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161304062 402381636 /nfs/dbraw/zinc/38/16/36/402381636.db2.gz WVCAFWYMIYIPJW-HNNXBMFYSA-N 1 1 321.469 2.126 10 70 DEIEMO CC(C)c1nc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(N(C)C)n1 ZINC000160467322 402346840 /nfs/dbraw/zinc/34/68/40/402346840.db2.gz PSWMWQOOYDIJRK-OLZOCXBDSA-N 1 1 306.458 2.202 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([S@@](C)=O)cc1 ZINC000160593217 402352895 /nfs/dbraw/zinc/35/28/95/402352895.db2.gz UTWDLZXZHWKPIZ-QRQCRPRQSA-N 1 1 322.474 2.274 10 70 DEIEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159624170 402327015 /nfs/dbraw/zinc/32/70/15/402327015.db2.gz BLVBXVYSBGKGKM-OAHLLOKOSA-N 1 1 319.453 2.173 10 70 DEIEMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159624276 402327065 /nfs/dbraw/zinc/32/70/65/402327065.db2.gz BLVBXVYSBGKGKM-HNNXBMFYSA-N 1 1 319.453 2.173 10 70 DEIEMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159532608 282244806 /nfs/dbraw/zinc/24/48/06/282244806.db2.gz JULHMLITUBKBHF-ZFWWWQNUSA-N 1 1 312.417 2.267 10 70 DEIEMO Clc1ccccc1-c1cncn1CCC[NH+]1CCNCC1 ZINC000159628035 186131844 /nfs/dbraw/zinc/13/18/44/186131844.db2.gz UHOYXXPYAOOQLF-UHFFFAOYSA-N 1 1 304.825 2.499 10 70 DEIEMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(N)=S)C1 ZINC000159902211 197371750 /nfs/dbraw/zinc/37/17/50/197371750.db2.gz YTPJBFHEVZVLRC-RYUDHWBXSA-N 1 1 305.447 2.380 10 70 DEIEMO CCc1nnc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)[nH]1 ZINC000159458175 402324046 /nfs/dbraw/zinc/32/40/46/402324046.db2.gz ITFGZPPKANXXQB-ZDUSSCGKSA-N 1 1 317.412 2.385 10 70 DEIEMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160389197 402343553 /nfs/dbraw/zinc/34/35/53/402343553.db2.gz YIDZMASKLHKTSJ-OAHLLOKOSA-N 1 1 300.406 2.167 10 70 DEIEMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160389197 402343555 /nfs/dbraw/zinc/34/35/55/402343555.db2.gz YIDZMASKLHKTSJ-OAHLLOKOSA-N 1 1 300.406 2.167 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000160437174 402345304 /nfs/dbraw/zinc/34/53/04/402345304.db2.gz UMRYESDGBRBBIE-QBPKDAKJSA-N 1 1 323.481 2.364 10 70 DEIEMO CCOCC[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1CC ZINC000161344793 402383750 /nfs/dbraw/zinc/38/37/50/402383750.db2.gz QARQWKOCCCTBQZ-GOSISDBHSA-N 1 1 311.514 2.295 10 70 DEIEMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159907114 197372553 /nfs/dbraw/zinc/37/25/53/197372553.db2.gz RYXFKYZZLHOGGT-RYUDHWBXSA-N 1 1 305.447 2.380 10 70 DEIEMO CCOC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159484261 197357033 /nfs/dbraw/zinc/35/70/33/197357033.db2.gz TWKJARJQTXNJND-UONOGXRCSA-N 1 1 308.397 2.456 10 70 DEIEMO COCC[N@@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000161175220 402376473 /nfs/dbraw/zinc/37/64/73/402376473.db2.gz OBGLTQFFKZZFIP-UHFFFAOYSA-N 1 1 303.406 2.093 10 70 DEIEMO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161281918 402380577 /nfs/dbraw/zinc/38/05/77/402380577.db2.gz VQDUXVOBJWHHKZ-GJZGRUSLSA-N 1 1 321.469 2.172 10 70 DEIEMO CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161281918 402380578 /nfs/dbraw/zinc/38/05/78/402380578.db2.gz VQDUXVOBJWHHKZ-GJZGRUSLSA-N 1 1 321.469 2.172 10 70 DEIEMO CCC[C@@H](C(=O)NCc1ccc(F)c(CN(C)C)c1)[NH+](C)C ZINC000159633184 186132179 /nfs/dbraw/zinc/13/21/79/186132179.db2.gz NAHQOJQQCPNDMU-INIZCTEOSA-N 1 1 309.429 2.234 10 70 DEIEMO CCOCC[N@@H+]1CCN(c2ncnc(CC)c2F)C[C@H]1CC ZINC000159901305 197371871 /nfs/dbraw/zinc/37/18/71/197371871.db2.gz OUIGXALLBOSRFJ-CYBMUJFWSA-N 1 1 310.417 2.115 10 70 DEIEMO CCOCC[N@H+]1CCN(c2ncnc(CC)c2F)C[C@H]1CC ZINC000159901305 197371873 /nfs/dbraw/zinc/37/18/73/197371873.db2.gz OUIGXALLBOSRFJ-CYBMUJFWSA-N 1 1 310.417 2.115 10 70 DEIEMO CC[N@@H+](CCc1nccs1)C[C@H](O)COc1ccccc1 ZINC000159437108 197353302 /nfs/dbraw/zinc/35/33/02/197353302.db2.gz PRVZUSHAEGZYRM-AWEZNQCLSA-N 1 1 306.431 2.447 10 70 DEIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC000161283254 402380471 /nfs/dbraw/zinc/38/04/71/402380471.db2.gz JQCFPEKCAXQFHR-NEPJUHHUSA-N 1 1 320.824 2.446 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccnc1 ZINC000160520290 519722003 /nfs/dbraw/zinc/72/20/03/519722003.db2.gz VXXPXUQBJUFFII-HUUCEWRRSA-N 1 1 305.422 2.086 10 70 DEIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCc1ccco1 ZINC000159790788 539583443 /nfs/dbraw/zinc/58/34/43/539583443.db2.gz YGIZIRCTKGSQAB-UHFFFAOYSA-N 1 1 307.419 2.305 10 70 DEIEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)CCCOc1ccccc1C(N)=S ZINC000159488345 197357570 /nfs/dbraw/zinc/35/75/70/197357570.db2.gz IPMBNMAAXKIVBU-JSGCOSHPSA-N 1 1 308.447 2.199 10 70 DEIEMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@](C)(O)CC ZINC000160519319 402349294 /nfs/dbraw/zinc/34/92/94/402349294.db2.gz MDKRMXUKIMBPMC-KRWDZBQOSA-N 1 1 321.421 2.066 10 70 DEIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)C1 ZINC000161091130 402372551 /nfs/dbraw/zinc/37/25/51/402372551.db2.gz FYFNSAXNCOBRNI-WXSAJPJJSA-N 1 1 318.461 2.386 10 70 DEIEMO Cc1cc(Cl)ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000161198875 402377032 /nfs/dbraw/zinc/37/70/32/402377032.db2.gz ZXEOJPZHAGVAKR-CHWSQXEVSA-N 1 1 310.825 2.176 10 70 DEIEMO Cc1cc(Cl)ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000161198875 402377035 /nfs/dbraw/zinc/37/70/35/402377035.db2.gz ZXEOJPZHAGVAKR-CHWSQXEVSA-N 1 1 310.825 2.176 10 70 DEIEMO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161280325 402380627 /nfs/dbraw/zinc/38/06/27/402380627.db2.gz JHVDHYRUXGREOB-KKUMJFAQSA-N 1 1 321.469 2.171 10 70 DEIEMO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161280325 402380630 /nfs/dbraw/zinc/38/06/30/402380630.db2.gz JHVDHYRUXGREOB-KKUMJFAQSA-N 1 1 321.469 2.171 10 70 DEIEMO Cc1noc(Cl)c1CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161397975 402386291 /nfs/dbraw/zinc/38/62/91/402386291.db2.gz SJXJCIRMZFHSLZ-GXFFZTMASA-N 1 1 313.829 2.414 10 70 DEIEMO CC[N@H+]1CCC[C@H](NC(=O)NCc2cc(C)cc(OC)c2)C1 ZINC000159734466 402329769 /nfs/dbraw/zinc/32/97/69/402329769.db2.gz JMZHFZGHWXOJLX-HNNXBMFYSA-N 1 1 305.422 2.287 10 70 DEIEMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159891450 197371876 /nfs/dbraw/zinc/37/18/76/197371876.db2.gz CPORHUVFJOILBU-CXAGYDPISA-N 1 1 321.384 2.145 10 70 DEIEMO CN1CCC[N@H+](C)C[C@H]1C(=O)Cc1nc2ccccc2s1 ZINC000159889489 197371188 /nfs/dbraw/zinc/37/11/88/197371188.db2.gz VEEJNXXHLHXNPK-ZDUSSCGKSA-N 1 1 303.431 2.044 10 70 DEIEMO CN1CCC[N@@H+](C)C[C@H]1C(=O)Cc1nc2ccccc2s1 ZINC000159889489 197371189 /nfs/dbraw/zinc/37/11/89/197371189.db2.gz VEEJNXXHLHXNPK-ZDUSSCGKSA-N 1 1 303.431 2.044 10 70 DEIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161060018 402370719 /nfs/dbraw/zinc/37/07/19/402370719.db2.gz ZIGQCSOPCXDRCF-SJLPKXTDSA-N 1 1 308.466 2.310 10 70 DEIEMO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161304198 402381382 /nfs/dbraw/zinc/38/13/82/402381382.db2.gz WVCAFWYMIYIPJW-OAHLLOKOSA-N 1 1 321.469 2.126 10 70 DEIEMO CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161304198 402381383 /nfs/dbraw/zinc/38/13/83/402381383.db2.gz WVCAFWYMIYIPJW-OAHLLOKOSA-N 1 1 321.469 2.126 10 70 DEIEMO CCC[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCC1)[NH+](C)C ZINC000160394423 520980678 /nfs/dbraw/zinc/98/06/78/520980678.db2.gz DBKHWMAFBDHDBP-CABCVRRESA-N 1 1 307.438 2.263 10 70 DEIEMO CCC[C@H](C(=O)NCc1ccc(F)c(CN(C)C)c1)[NH+](C)C ZINC000159633312 186132105 /nfs/dbraw/zinc/13/21/05/186132105.db2.gz NAHQOJQQCPNDMU-MRXNPFEDSA-N 1 1 309.429 2.234 10 70 DEIEMO CCCn1c(C)nnc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000160126263 197387835 /nfs/dbraw/zinc/38/78/35/197387835.db2.gz QKTRWWPTFDBMPK-CVEARBPZSA-N 1 1 305.470 2.444 10 70 DEIEMO Cc1cc(C)c(-n2nnnc2C[NH2+]C2CC2)c(Br)c1 ZINC000159948858 197375547 /nfs/dbraw/zinc/37/55/47/197375547.db2.gz XUTNTADRNOQLHI-UHFFFAOYSA-N 1 1 322.210 2.294 10 70 DEIEMO C[C@H]1OCC[C@@H]1N(C)c1c(C(N)=S)c[nH+]c2ccccc21 ZINC000159451587 197354194 /nfs/dbraw/zinc/35/41/94/197354194.db2.gz UDENUPNAYCNADX-YGRLFVJLSA-N 1 1 301.415 2.483 10 70 DEIEMO Cc1n[nH]c(C(C)C)c1C(=O)NCCc1cn2ccccc2n1 ZINC000159512855 402324523 /nfs/dbraw/zinc/32/45/23/402324523.db2.gz OSHHPTVFYXQKMF-UHFFFAOYSA-N 1 1 311.389 2.462 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=S)cc1 ZINC000160490929 402348374 /nfs/dbraw/zinc/34/83/74/402348374.db2.gz HAZJEMDTTMQACU-OAHLLOKOSA-N 1 1 319.474 2.171 10 70 DEIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1nccs1 ZINC000161061895 402370703 /nfs/dbraw/zinc/37/07/03/402370703.db2.gz KMEUNXPLCRZJIY-GHMZBOCLSA-N 1 1 312.439 2.054 10 70 DEIEMO CCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)CCCC1 ZINC000161097653 402372583 /nfs/dbraw/zinc/37/25/83/402372583.db2.gz NJURFGWYRVPPEE-OAHLLOKOSA-N 1 1 311.470 2.367 10 70 DEIEMO CNC(=O)c1cccnc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000160230397 402338518 /nfs/dbraw/zinc/33/85/18/402338518.db2.gz ILSVKWXOTFSTCM-PBHICJAKSA-N 1 1 324.428 2.374 10 70 DEIEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000160310577 521718497 /nfs/dbraw/zinc/71/84/97/521718497.db2.gz OFRTTWDXFPVXAD-SIXLDLHFSA-N 1 1 323.481 2.316 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1 ZINC000160296284 197398337 /nfs/dbraw/zinc/39/83/37/197398337.db2.gz QSAUQENPODBVBK-CQSZACIVSA-N 1 1 314.426 2.224 10 70 DEIEMO CNC(=O)c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161027038 402370036 /nfs/dbraw/zinc/37/00/36/402370036.db2.gz GVRPPDRGYPHNAR-SJLPKXTDSA-N 1 1 302.418 2.173 10 70 DEIEMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc(C)cc(OC)c2)C1 ZINC000159734588 402329693 /nfs/dbraw/zinc/32/96/93/402329693.db2.gz JMZHFZGHWXOJLX-OAHLLOKOSA-N 1 1 305.422 2.287 10 70 DEIEMO CCN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160442655 535696069 /nfs/dbraw/zinc/69/60/69/535696069.db2.gz BRBFELALVRFZEK-ZWKOTPCHSA-N 1 1 321.509 2.347 10 70 DEIEMO CC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ncc(C)s1 ZINC000161500195 539591889 /nfs/dbraw/zinc/59/18/89/539591889.db2.gz KORNZSBIGRCPPG-ZDUSSCGKSA-N 1 1 310.467 2.120 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000160215897 197393239 /nfs/dbraw/zinc/39/32/39/197393239.db2.gz FUVGIHMBBODMMP-OFQRWUPVSA-N 1 1 311.470 2.362 10 70 DEIEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nc(C(C)C)nc(N(C)C)n1 ZINC000160366314 402342773 /nfs/dbraw/zinc/34/27/73/402342773.db2.gz OJASBECFUBQZFF-ZIAGYGMSSA-N 1 1 318.469 2.124 10 70 DEIEMO CCC(CC)CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000160538336 402350168 /nfs/dbraw/zinc/35/01/68/402350168.db2.gz DVFLYIIRRRRKFH-AWEZNQCLSA-N 1 1 311.470 2.317 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000161281491 402381058 /nfs/dbraw/zinc/38/10/58/402381058.db2.gz YGRLZVJBJHJERW-IAGOWNOFSA-N 1 1 314.433 2.081 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CCOCC1 ZINC000160216164 402338562 /nfs/dbraw/zinc/33/85/62/402338562.db2.gz YXMOMNSOQWUQPX-MRXNPFEDSA-N 1 1 311.470 2.175 10 70 DEIEMO CCOc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159582893 186128920 /nfs/dbraw/zinc/12/89/20/186128920.db2.gz DFDMFRLEZGGIQR-GXTWGEPZSA-N 1 1 306.406 2.180 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000161320782 402382583 /nfs/dbraw/zinc/38/25/83/402382583.db2.gz OGNGDSXCZRWYMX-HNNXBMFYSA-N 1 1 321.469 2.123 10 70 DEIEMO COCCOC[C@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159855420 402332342 /nfs/dbraw/zinc/33/23/42/402332342.db2.gz LHMSWZNZFIUQCX-KRWDZBQOSA-N 1 1 324.440 2.242 10 70 DEIEMO CCOCCC1(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000160222263 197393973 /nfs/dbraw/zinc/39/39/73/197393973.db2.gz PTAXGOYKGGTTKL-GJZGRUSLSA-N 1 1 311.470 2.221 10 70 DEIEMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC1(CO)CC1 ZINC000160282299 402340047 /nfs/dbraw/zinc/34/00/47/402340047.db2.gz VCODQZIBYCJARC-UHFFFAOYSA-N 1 1 324.424 2.330 10 70 DEIEMO CCC(CC)CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000160538189 402350060 /nfs/dbraw/zinc/35/00/60/402350060.db2.gz DVFLYIIRRRRKFH-CQSZACIVSA-N 1 1 311.470 2.317 10 70 DEIEMO CC1=C(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CCCO1 ZINC000160821979 197441470 /nfs/dbraw/zinc/44/14/70/197441470.db2.gz ROWLOJIOJJYAJJ-UHFFFAOYSA-N 1 1 303.406 2.286 10 70 DEIEMO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000160223066 197393940 /nfs/dbraw/zinc/39/39/40/197393940.db2.gz ZBOXALVKWZXHEP-XUJVJEKNSA-N 1 1 322.453 2.423 10 70 DEIEMO Cc1nccn1CCCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159856664 197368876 /nfs/dbraw/zinc/36/88/76/197368876.db2.gz MEJGHODWLRIYGF-SFHVURJKSA-N 1 1 320.481 2.158 10 70 DEIEMO CNC(=O)c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161003193 402368676 /nfs/dbraw/zinc/36/86/76/402368676.db2.gz QXSRRRXYELMDFT-AEFFLSMTSA-N 1 1 302.418 2.173 10 70 DEIEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161060151 402370733 /nfs/dbraw/zinc/37/07/33/402370733.db2.gz ZIGQCSOPCXDRCF-AEFFLSMTSA-N 1 1 308.466 2.310 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000161345736 402384230 /nfs/dbraw/zinc/38/42/30/402384230.db2.gz ZLGKCCSOQVENPU-CQSZACIVSA-N 1 1 321.469 2.030 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000161345736 402384234 /nfs/dbraw/zinc/38/42/34/402384234.db2.gz ZLGKCCSOQVENPU-CQSZACIVSA-N 1 1 321.469 2.030 10 70 DEIEMO Cn1cnnc1[C@@H]1CCCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161354039 402384512 /nfs/dbraw/zinc/38/45/12/402384512.db2.gz QROLBWPLSNKLPL-INIZCTEOSA-N 1 1 317.412 2.223 10 70 DEIEMO C[N@H+]1CCO[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)C[C@@H]21 ZINC000159975595 402334431 /nfs/dbraw/zinc/33/44/31/402334431.db2.gz UKYQHSYIURGINJ-LSDHHAIUSA-N 1 1 305.328 2.032 10 70 DEIEMO CCOCCC1(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000160222139 402338856 /nfs/dbraw/zinc/33/88/56/402338856.db2.gz PTAXGOYKGGTTKL-LSDHHAIUSA-N 1 1 311.470 2.221 10 70 DEIEMO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000160582781 279241360 /nfs/dbraw/zinc/24/13/60/279241360.db2.gz ZEYFPVKPJRHOQZ-IDHHARJASA-N 1 1 320.477 2.403 10 70 DEIEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491918 197357813 /nfs/dbraw/zinc/35/78/13/197357813.db2.gz ZBIYVCIHMWFVEI-WFASDCNBSA-N 1 1 308.447 2.199 10 70 DEIEMO C[C@H]1OCC[C@@H]1[N@@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491784 197357502 /nfs/dbraw/zinc/35/75/02/197357502.db2.gz ZBIYVCIHMWFVEI-DOMZBBRYSA-N 1 1 308.447 2.199 10 70 DEIEMO COC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160594982 402353258 /nfs/dbraw/zinc/35/32/58/402353258.db2.gz IAFFRAOWUZWZHF-MRXNPFEDSA-N 1 1 318.417 2.323 10 70 DEIEMO CC[C@@](C)(O)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160821623 402362152 /nfs/dbraw/zinc/36/21/52/402362152.db2.gz ZPSMRUWXXHLWKE-XJKSGUPXSA-N 1 1 300.443 2.479 10 70 DEIEMO CCC[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)[NH+](C)C ZINC000161299647 402381417 /nfs/dbraw/zinc/38/14/17/402381417.db2.gz LZDRZQGOIDPELF-HZPDHXFCSA-N 1 1 309.429 2.275 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000161320675 402382557 /nfs/dbraw/zinc/38/25/57/402382557.db2.gz OGNGDSXCZRWYMX-OAHLLOKOSA-N 1 1 321.469 2.123 10 70 DEIEMO Cc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000160077665 526044866 /nfs/dbraw/zinc/04/48/66/526044866.db2.gz GZEFVOPJCJMSQF-SJLPKXTDSA-N 1 1 316.445 2.220 10 70 DEIEMO CCOCC[N@H+]1CCN(Cc2cnc3ccccn23)C[C@@H]1CC ZINC000159953932 197376313 /nfs/dbraw/zinc/37/63/13/197376313.db2.gz USRNFBOXYNUYBN-INIZCTEOSA-N 1 1 316.449 2.267 10 70 DEIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCC(F)(F)F ZINC000159916218 197373004 /nfs/dbraw/zinc/37/30/04/197373004.db2.gz UKUTXPHMWSHYIN-UHFFFAOYSA-N 1 1 309.357 2.075 10 70 DEIEMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159891049 197371897 /nfs/dbraw/zinc/37/18/97/197371897.db2.gz CPORHUVFJOILBU-GUYCJALGSA-N 1 1 321.384 2.145 10 70 DEIEMO O=c1c2ccoc2ccn1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000161394178 402385788 /nfs/dbraw/zinc/38/57/88/402385788.db2.gz ROSWTTDMAJPUAB-MRXNPFEDSA-N 1 1 324.380 2.014 10 70 DEIEMO COc1ccccc1-c1nnc(CN2CC[NH+](C3CC3)CC2)o1 ZINC000159720535 402328702 /nfs/dbraw/zinc/32/87/02/402328702.db2.gz MSTMWJUGMUKFBW-UHFFFAOYSA-N 1 1 314.389 2.025 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(O)c1 ZINC000159594654 186129784 /nfs/dbraw/zinc/12/97/84/186129784.db2.gz ZXEDQKCALPLPOT-OAHLLOKOSA-N 1 1 305.422 2.312 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([S@](C)=O)cc1 ZINC000160593061 402353145 /nfs/dbraw/zinc/35/31/45/402353145.db2.gz UTWDLZXZHWKPIZ-IVZQSRNASA-N 1 1 322.474 2.274 10 70 DEIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696329 402329108 /nfs/dbraw/zinc/32/91/08/402329108.db2.gz BLCNULBGWNEIOL-JSGCOSHPSA-N 1 1 316.380 2.097 10 70 DEIEMO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160925629 525849005 /nfs/dbraw/zinc/84/90/05/525849005.db2.gz IPJWGIFEDKCNSV-RHSMWYFYSA-N 1 1 322.474 2.300 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1F ZINC000160277693 402340116 /nfs/dbraw/zinc/34/01/16/402340116.db2.gz CZOSSFKXDSHBEY-CYBMUJFWSA-N 1 1 314.426 2.224 10 70 DEIEMO COc1ccc(CC2CC[NH+](Cc3nncn3C)CC2)cc1 ZINC000160895536 402364544 /nfs/dbraw/zinc/36/45/44/402364544.db2.gz VDYCHAFXJGGAKU-UHFFFAOYSA-N 1 1 300.406 2.278 10 70 DEIEMO CCOCCO[C@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000160958728 402367135 /nfs/dbraw/zinc/36/71/35/402367135.db2.gz VCTWOABMZGAHSQ-SFHVURJKSA-N 1 1 324.440 2.385 10 70 DEIEMO CCOCCO[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000160958728 402367137 /nfs/dbraw/zinc/36/71/37/402367137.db2.gz VCTWOABMZGAHSQ-SFHVURJKSA-N 1 1 324.440 2.385 10 70 DEIEMO CCOCCO[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000160958728 402367139 /nfs/dbraw/zinc/36/71/39/402367139.db2.gz VCTWOABMZGAHSQ-SFHVURJKSA-N 1 1 324.440 2.385 10 70 DEIEMO CC(=O)N1CC[C@H](C[N@H+](C)CCN(C)Cc2ccc(F)cc2)C1 ZINC000161024276 402369781 /nfs/dbraw/zinc/36/97/81/402369781.db2.gz QVHPFBVESJINCU-QGZVFWFLSA-N 1 1 321.440 2.058 10 70 DEIEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000161099389 402372901 /nfs/dbraw/zinc/37/29/01/402372901.db2.gz WIJYQGZUIZEYTJ-GUYCJALGSA-N 1 1 314.429 2.203 10 70 DEIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000161231313 402378082 /nfs/dbraw/zinc/37/80/82/402378082.db2.gz PAQHVWULMCRWGV-COXVUDFISA-N 1 1 315.417 2.025 10 70 DEIEMO CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161301001 402381241 /nfs/dbraw/zinc/38/12/41/402381241.db2.gz XZPFYPXHSXCUFN-OAHLLOKOSA-N 1 1 321.469 2.174 10 70 DEIEMO CCCCCCNC(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161301001 402381242 /nfs/dbraw/zinc/38/12/42/402381242.db2.gz XZPFYPXHSXCUFN-OAHLLOKOSA-N 1 1 321.469 2.174 10 70 DEIEMO C(NC1=[NH+]CC2(CCCC2)CS1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000160246175 197394544 /nfs/dbraw/zinc/39/45/44/197394544.db2.gz FDHOBRSYCDICEG-ZIAGYGMSSA-N 1 1 309.479 2.102 10 70 DEIEMO Cc1ccc(C(=O)CC[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000160077533 197384210 /nfs/dbraw/zinc/38/42/10/197384210.db2.gz GZEFVOPJCJMSQF-FUHWJXTLSA-N 1 1 316.445 2.220 10 70 DEIEMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159906986 197372976 /nfs/dbraw/zinc/37/29/76/197372976.db2.gz RYXFKYZZLHOGGT-NWDGAFQWSA-N 1 1 305.447 2.380 10 70 DEIEMO Cc1ccc(N2CCC[N@@H+](Cc3cnc4ccccn34)CC2)nn1 ZINC000159889337 197371161 /nfs/dbraw/zinc/37/11/61/197371161.db2.gz FIXVXSUQJPYAIR-UHFFFAOYSA-N 1 1 322.416 2.145 10 70 DEIEMO CCC(CC)(C[NH2+]Cc1nc(-c2ccoc2)no1)C(=O)OC ZINC000159651673 291657182 /nfs/dbraw/zinc/65/71/82/291657182.db2.gz QQDZGEFQBQSKOP-UHFFFAOYSA-N 1 1 307.350 2.399 10 70 DEIEMO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159512548 197359393 /nfs/dbraw/zinc/35/93/93/197359393.db2.gz NLRHNKSNZHBXGH-AWEZNQCLSA-N 1 1 300.406 2.215 10 70 DEIEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000159512548 197359395 /nfs/dbraw/zinc/35/93/95/197359395.db2.gz NLRHNKSNZHBXGH-AWEZNQCLSA-N 1 1 300.406 2.215 10 70 DEIEMO CCc1nc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cs1 ZINC000159401009 197350635 /nfs/dbraw/zinc/35/06/35/197350635.db2.gz OTOCIJUSEZTELL-CYBMUJFWSA-N 1 1 310.467 2.187 10 70 DEIEMO CCN1CC[NH+](CCCNC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160442793 402345794 /nfs/dbraw/zinc/34/57/94/402345794.db2.gz BRBFELALVRFZEK-ROUUACIJSA-N 1 1 321.509 2.347 10 70 DEIEMO COc1ccc([C@H](C)NC2CC[NH+](C)CC2)cc1NC(C)=O ZINC000161502546 402389932 /nfs/dbraw/zinc/38/99/32/402389932.db2.gz JVBKSPXEECSTNP-LBPRGKRZSA-N 1 1 305.422 2.398 10 70 DEIEMO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160925766 525851162 /nfs/dbraw/zinc/85/11/62/525851162.db2.gz IPJWGIFEDKCNSV-PBHICJAKSA-N 1 1 322.474 2.300 10 70 DEIEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccs1 ZINC000160303970 197399248 /nfs/dbraw/zinc/39/92/48/197399248.db2.gz GWUNVIXARVALAZ-GFCCVEGCSA-N 1 1 302.465 2.147 10 70 DEIEMO CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159892871 197371924 /nfs/dbraw/zinc/37/19/24/197371924.db2.gz DRDJHLVSDCOFQE-ZDUSSCGKSA-N 1 1 305.447 2.237 10 70 DEIEMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159900459 197372036 /nfs/dbraw/zinc/37/20/36/197372036.db2.gz JCPAPCGXHWCUIP-LBPRGKRZSA-N 1 1 305.447 2.381 10 70 DEIEMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000159937731 285211872 /nfs/dbraw/zinc/21/18/72/285211872.db2.gz LPQAFSYUQQHDNG-CVEARBPZSA-N 1 1 319.453 2.104 10 70 DEIEMO CCCN(CC)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000161429697 402386962 /nfs/dbraw/zinc/38/69/62/402386962.db2.gz TYAITJPDVICRPW-UHFFFAOYSA-N 1 1 316.449 2.238 10 70 DEIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1nccs1 ZINC000161138426 402374886 /nfs/dbraw/zinc/37/48/86/402374886.db2.gz HFPNKGXHTAIYSD-UWVGGRQHSA-N 1 1 312.439 2.197 10 70 DEIEMO c1ccc(OCCOCCSCC[NH+]2CCOCC2)cc1 ZINC000160023736 402334796 /nfs/dbraw/zinc/33/47/96/402334796.db2.gz CHYFZVJSWAWWHU-UHFFFAOYSA-N 1 1 311.447 2.147 10 70 DEIEMO COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000160142795 197388810 /nfs/dbraw/zinc/38/88/10/197388810.db2.gz HUCDXFZIVNLXHN-GFCCVEGCSA-N 1 1 310.825 2.444 10 70 DEIEMO CCOC(=O)[C@H](C)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159484659 197357069 /nfs/dbraw/zinc/35/70/69/197357069.db2.gz TWKJARJQTXNJND-KGLIPLIRSA-N 1 1 308.397 2.456 10 70 DEIEMO 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ZINC000159800144 276210251 /nfs/dbraw/zinc/21/02/51/276210251.db2.gz HZWCYVRTMWCAHH-ZBFHGGJFSA-N 1 1 318.417 2.126 10 70 DEIEMO C[C@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)N1CC[NH+](C)CC1 ZINC000159742938 279230797 /nfs/dbraw/zinc/23/07/97/279230797.db2.gz LEDAVLPIBGECTE-IIDMSEBBSA-N 1 1 315.461 2.377 10 70 DEIEMO Cc1cc(-c2nnc(CN3CC[NH+](C4CC4)CC3)o2)c(C)o1 ZINC000161496471 539592064 /nfs/dbraw/zinc/59/20/64/539592064.db2.gz IEZFLGCQIPDVON-UHFFFAOYSA-N 1 1 302.378 2.226 10 70 DEIEMO C[C@H]1CN(c2cc(Cl)nc(C3CC3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000160414572 402344997 /nfs/dbraw/zinc/34/49/97/402344997.db2.gz BFGTYKVBQVPAGT-AAEUAGOBSA-N 1 1 322.840 2.164 10 70 DEIEMO CCc1nc(C[NH+]2CCC(c3ccnn3CCO)CC2)cs1 ZINC000160563869 402351310 /nfs/dbraw/zinc/35/13/10/402351310.db2.gz SVPMLHKPBZJCAH-UHFFFAOYSA-N 1 1 320.462 2.274 10 70 DEIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1nccs1 ZINC000161061657 402370777 /nfs/dbraw/zinc/37/07/77/402370777.db2.gz KMEUNXPLCRZJIY-WDEREUQCSA-N 1 1 312.439 2.054 10 70 DEIEMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000159735698 402329353 /nfs/dbraw/zinc/32/93/53/402329353.db2.gz UZJGFOGPJRDPKN-HNNXBMFYSA-N 1 1 320.437 2.152 10 70 DEIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000161412759 402386456 /nfs/dbraw/zinc/38/64/56/402386456.db2.gz GNSADVNTXFDYQQ-CYBMUJFWSA-N 1 1 308.426 2.209 10 70 DEIEMO C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCCN(c2cccnn2)C1 ZINC000159890774 197372084 /nfs/dbraw/zinc/37/20/84/197372084.db2.gz WAHZABDEPXXIGI-HNNXBMFYSA-N 1 1 322.416 2.225 10 70 DEIEMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159900346 197371909 /nfs/dbraw/zinc/37/19/09/197371909.db2.gz JCPAPCGXHWCUIP-GFCCVEGCSA-N 1 1 305.447 2.381 10 70 DEIEMO O=C(/C=C/c1ccccc1Cl)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160425344 402345002 /nfs/dbraw/zinc/34/50/02/402345002.db2.gz DWSANHKCMTYEPC-SBJJXXPASA-N 1 1 320.820 2.333 10 70 DEIEMO O=C(/C=C/c1ccccc1Cl)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160425344 402345003 /nfs/dbraw/zinc/34/50/03/402345003.db2.gz DWSANHKCMTYEPC-SBJJXXPASA-N 1 1 320.820 2.333 10 70 DEIEMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@](C)(O)CC ZINC000160456496 402346267 /nfs/dbraw/zinc/34/62/67/402346267.db2.gz JYOHHJRRGCDFPL-OAHLLOKOSA-N 1 1 300.349 2.386 10 70 DEIEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000160593034 402353393 /nfs/dbraw/zinc/35/33/93/402353393.db2.gz YZKACSKBOBHDSG-QGZVFWFLSA-N 1 1 321.509 2.441 10 70 DEIEMO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[nH]n1 ZINC000160753911 402359563 /nfs/dbraw/zinc/35/95/63/402359563.db2.gz DRXAMIPDEKWSLK-XJKSGUPXSA-N 1 1 321.469 2.069 10 70 DEIEMO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n[nH]1 ZINC000160753911 402359567 /nfs/dbraw/zinc/35/95/67/402359567.db2.gz DRXAMIPDEKWSLK-XJKSGUPXSA-N 1 1 321.469 2.069 10 70 DEIEMO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)n[nH]1 ZINC000160753911 402359571 /nfs/dbraw/zinc/35/95/71/402359571.db2.gz DRXAMIPDEKWSLK-XJKSGUPXSA-N 1 1 321.469 2.069 10 70 DEIEMO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc(-c3ccoc3)no1)CC2 ZINC000160937249 402366353 /nfs/dbraw/zinc/36/63/53/402366353.db2.gz LVSLSMJNOORUEQ-CZUORRHYSA-N 1 1 303.362 2.457 10 70 DEIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc(-c3ccoc3)no1)CC2 ZINC000160937249 402366357 /nfs/dbraw/zinc/36/63/57/402366357.db2.gz LVSLSMJNOORUEQ-CZUORRHYSA-N 1 1 303.362 2.457 10 70 DEIEMO CCc1ncc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000161207732 402377906 /nfs/dbraw/zinc/37/79/06/402377906.db2.gz JCETVQLOHAFYMK-AWEZNQCLSA-N 1 1 314.393 2.240 10 70 DEIEMO CCc1ncc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000161207612 402378023 /nfs/dbraw/zinc/37/80/23/402378023.db2.gz JCETVQLOHAFYMK-CQSZACIVSA-N 1 1 314.393 2.240 10 70 DEIEMO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161279539 402380411 /nfs/dbraw/zinc/38/04/11/402380411.db2.gz OPKXXLGSUWQMJI-KBPBESRZSA-N 1 1 321.469 2.171 10 70 DEIEMO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161279539 402380412 /nfs/dbraw/zinc/38/04/12/402380412.db2.gz 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ZINC000161409117 402386483 /nfs/dbraw/zinc/38/64/83/402386483.db2.gz YJQGLOJFVLIYOR-DLBZAZTESA-N 1 1 317.433 2.324 10 70 DEIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000159548282 186126382 /nfs/dbraw/zinc/12/63/82/186126382.db2.gz SKXFQYSUWAOJRR-DGCLKSJQSA-N 1 1 312.360 2.416 10 70 DEIEMO COCc1csc(NC(=O)N(C)CCCn2cc[nH+]c2C)n1 ZINC000159409115 402322886 /nfs/dbraw/zinc/32/28/86/402322886.db2.gz RDYSESSLQBLZDW-UHFFFAOYSA-N 1 1 323.422 2.348 10 70 DEIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574604 402325734 /nfs/dbraw/zinc/32/57/34/402325734.db2.gz KGXGSPVLUXLBRJ-IUODEOHRSA-N 1 1 302.418 2.486 10 70 DEIEMO Cn1c(C[N@H+](C[C@@H]2CCOC2)C2CC2)nnc1-c1ccccc1 ZINC000160789083 402360732 /nfs/dbraw/zinc/36/07/32/402360732.db2.gz HYDFTOQIBNZWDF-AWEZNQCLSA-N 1 1 312.417 2.483 10 70 DEIEMO Cn1c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nnc1-c1ccccc1 ZINC000160789083 402360735 /nfs/dbraw/zinc/36/07/35/402360735.db2.gz HYDFTOQIBNZWDF-AWEZNQCLSA-N 1 1 312.417 2.483 10 70 DEIEMO CN(CCC[NH+]1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000160937489 402366522 /nfs/dbraw/zinc/36/65/22/402366522.db2.gz YLXQTZNVWQSCSO-KRWDZBQOSA-N 1 1 317.481 2.253 10 70 DEIEMO C[N@H+](CCCN1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000160937489 402366524 /nfs/dbraw/zinc/36/65/24/402366524.db2.gz YLXQTZNVWQSCSO-KRWDZBQOSA-N 1 1 317.481 2.253 10 70 DEIEMO C[N@@H+](CCCN1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000160937489 402366527 /nfs/dbraw/zinc/36/65/27/402366527.db2.gz YLXQTZNVWQSCSO-KRWDZBQOSA-N 1 1 317.481 2.253 10 70 DEIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000161099258 402372808 /nfs/dbraw/zinc/37/28/08/402372808.db2.gz WIJYQGZUIZEYTJ-DYVFJYSZSA-N 1 1 314.429 2.203 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000161281623 402380858 /nfs/dbraw/zinc/38/08/58/402380858.db2.gz YGRLZVJBJHJERW-DLBZAZTESA-N 1 1 314.433 2.081 10 70 DEIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCc1cccnc1 ZINC000159942841 402334570 /nfs/dbraw/zinc/33/45/70/402334570.db2.gz 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402330871 /nfs/dbraw/zinc/33/08/71/402330871.db2.gz QTBPOMBCIVBQPP-UHFFFAOYSA-N 1 1 308.407 2.331 10 70 DEIEMO Cc1cc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)on1 ZINC000159809590 402330872 /nfs/dbraw/zinc/33/08/72/402330872.db2.gz QTBPOMBCIVBQPP-UHFFFAOYSA-N 1 1 308.407 2.331 10 70 DEIEMO Cc1cccc(CNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160938595 524417836 /nfs/dbraw/zinc/41/78/36/524417836.db2.gz PAMPHVJTTXYYTF-IEBWSBKVSA-N 1 1 316.445 2.238 10 70 DEIEMO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160983302 525153062 /nfs/dbraw/zinc/15/30/62/525153062.db2.gz XGSLLQDPYZJLTJ-MJGOQNOKSA-N 1 1 316.445 2.238 10 70 DEIEMO COCC[NH+]1[C@@H](C)CN(c2nc(C(C)(C)C)ns2)C[C@@H]1C ZINC000160081084 197384613 /nfs/dbraw/zinc/38/46/13/197384613.db2.gz XXSMSKUZXUGARF-RYUDHWBXSA-N 1 1 312.483 2.381 10 70 DEIEMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159908253 197372979 /nfs/dbraw/zinc/37/29/79/197372979.db2.gz ASQFEEPXNPRTQV-LBPRGKRZSA-N 1 1 305.447 2.381 10 70 DEIEMO CN(CCC[NH+]1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000160937373 402366293 /nfs/dbraw/zinc/36/62/93/402366293.db2.gz YLXQTZNVWQSCSO-QGZVFWFLSA-N 1 1 317.481 2.253 10 70 DEIEMO C[N@H+](CCCN1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000160937373 402366295 /nfs/dbraw/zinc/36/62/95/402366295.db2.gz YLXQTZNVWQSCSO-QGZVFWFLSA-N 1 1 317.481 2.253 10 70 DEIEMO C[N@@H+](CCCN1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000160937373 402366298 /nfs/dbraw/zinc/36/62/98/402366298.db2.gz YLXQTZNVWQSCSO-QGZVFWFLSA-N 1 1 317.481 2.253 10 70 DEIEMO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C[N@H+](C)C(C)C)cc2)n1 ZINC000161142378 402374801 /nfs/dbraw/zinc/37/48/01/402374801.db2.gz RPBCMLFVJPSJML-UHFFFAOYSA-N 1 1 314.389 2.024 10 70 DEIEMO CC1(O)CC[NH+](CC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000161190457 402377004 /nfs/dbraw/zinc/37/70/04/402377004.db2.gz MSYISANXOWTSPE-CYBMUJFWSA-N 1 1 308.447 2.258 10 70 DEIEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000161316706 402381920 /nfs/dbraw/zinc/38/19/20/402381920.db2.gz 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/nfs/dbraw/zinc/35/75/95/197357595.db2.gz CTBPMIAQIPQNOC-WFASDCNBSA-N 1 1 308.447 2.199 10 70 DEIEMO CCC(CC)CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000160564683 402351268 /nfs/dbraw/zinc/35/12/68/402351268.db2.gz KZEBAXRAXBBCPR-KRWDZBQOSA-N 1 1 324.513 2.234 10 70 DEIEMO COC(=O)Nc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161410127 402386275 /nfs/dbraw/zinc/38/62/75/402386275.db2.gz HVAXLVRLIBQWHA-WFASDCNBSA-N 1 1 319.405 2.323 10 70 DEIEMO