smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159595201 539583031 /nfs/dbraw/zinc/58/30/31/539583031.db2.gz HWRROYYVFBXBDJ-NXHRZFHOSA-N 0 1 316.445 2.273 10 70 DEIEMN CN(CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159595201 539583033 /nfs/dbraw/zinc/58/30/33/539583033.db2.gz HWRROYYVFBXBDJ-NXHRZFHOSA-N 0 1 316.445 2.273 10 70 DEIEMN CCC[C@@H](C(=O)NCC(=O)Nc1c(C)cccc1C)N(C)C ZINC000161442973 278855537 /nfs/dbraw/zinc/85/55/37/278855537.db2.gz MUXHOXWHHNLKLQ-AWEZNQCLSA-N 0 1 305.422 2.088 10 70 DEIEMN CC[C@H](COC)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000160125057 197388116 /nfs/dbraw/zinc/38/81/16/197388116.db2.gz RWXZQXSBVZIIND-CQSZACIVSA-N 0 1 311.401 2.112 10 70 DEIEMN C[C@H]1C[C@@H](N[C@@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005715 402290681 /nfs/dbraw/zinc/29/06/81/402290681.db2.gz OQKPXOSUHXSNSH-JMJZKYOTSA-N 0 1 310.444 2.411 10 70 DEIEMN COC(=O)c1csc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000161067790 402371335 /nfs/dbraw/zinc/37/13/35/402371335.db2.gz ZQAROMUSGXRXDG-GFCCVEGCSA-N 0 1 323.418 2.237 10 70 DEIEMN CC(C)[C@H]1CCN(CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159891214 197371849 /nfs/dbraw/zinc/37/18/49/197371849.db2.gz CAZWEUFIPHXSDZ-LBPRGKRZSA-N 0 1 305.447 2.237 10 70 DEIEMN Cc1cc(C[C@@H](C)NC(=O)c2ncccc2OC(C)C)n[nH]1 ZINC000161444761 402387675 /nfs/dbraw/zinc/38/76/75/402387675.db2.gz ZJLXEVRBZQPXHI-LLVKDONJSA-N 0 1 302.378 2.261 10 70 DEIEMN COc1cccc(Cl)c1CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000160808501 402361457 /nfs/dbraw/zinc/36/14/57/402361457.db2.gz YUVKAKPXFXDASP-TXEJJXNPSA-N 0 1 310.825 2.442 10 70 DEIEMN O=C1[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccccc1 ZINC000160826484 402362091 /nfs/dbraw/zinc/36/20/91/402362091.db2.gz FODMEYRDCNLCFF-SZVBFZGTSA-N 0 1 314.429 2.419 10 70 DEIEMN CCCCOC(=O)CC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161419816 402387118 /nfs/dbraw/zinc/38/71/18/402387118.db2.gz PREXMCRJPRPIFX-CQSZACIVSA-N 0 1 308.426 2.211 10 70 DEIEMN COCCC[N@@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000160008047 402335118 /nfs/dbraw/zinc/33/51/18/402335118.db2.gz WGLKYHMVWOVTQE-UHFFFAOYSA-N 0 1 317.433 2.483 10 70 DEIEMN CC(C)N(CCc1nccs1)C[C@@H](C)CS(C)(=O)=O ZINC000159926911 282176636 /nfs/dbraw/zinc/17/66/36/282176636.db2.gz YYAZINDTUKIDMX-GFCCVEGCSA-N 0 1 304.481 2.077 10 70 DEIEMN Cc1[nH]nc(C(C)C)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000159537875 402325313 /nfs/dbraw/zinc/32/53/13/402325313.db2.gz NYTDCARMZYRMCX-BETUJISGSA-N 0 1 322.453 2.071 10 70 DEIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000159537875 402325316 /nfs/dbraw/zinc/32/53/16/402325316.db2.gz NYTDCARMZYRMCX-BETUJISGSA-N 0 1 322.453 2.071 10 70 DEIEMN c1nc2ccccn2c1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000160350896 402342276 /nfs/dbraw/zinc/34/22/76/402342276.db2.gz XAMPJJDNKHHIPP-MRXNPFEDSA-N 0 1 314.433 2.021 10 70 DEIEMN CCc1nc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)cs1 ZINC000159401144 197350845 /nfs/dbraw/zinc/35/08/45/197350845.db2.gz OTOCIJUSEZTELL-ZDUSSCGKSA-N 0 1 310.467 2.187 10 70 DEIEMN c1nc2ccccn2c1CN1CCCC[C@H]1CN1CCOCC1 ZINC000160351016 402342139 /nfs/dbraw/zinc/34/21/39/402342139.db2.gz XAMPJJDNKHHIPP-INIZCTEOSA-N 0 1 314.433 2.021 10 70 DEIEMN Cc1nc([C@@H]2CN(CCC(=O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000159845553 402332334 /nfs/dbraw/zinc/33/23/34/402332334.db2.gz ZKAWMHLTPXRZIF-INIZCTEOSA-N 0 1 314.389 2.068 10 70 DEIEMN O=C1CCN(CCOc2cc(Cl)cc(Cl)c2)CCN1 ZINC000160472661 402347149 /nfs/dbraw/zinc/34/71/49/402347149.db2.gz ARNUBOXNMBHKII-UHFFFAOYSA-N 0 1 303.189 2.194 10 70 DEIEMN Cc1nn(C)c2ncc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cc12 ZINC000160731025 402358578 /nfs/dbraw/zinc/35/85/78/402358578.db2.gz DHBIVVUTUAKABU-QAPCUYQASA-N 0 1 314.433 2.404 10 70 DEIEMN CCC[C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000161350390 402384246 /nfs/dbraw/zinc/38/42/46/402384246.db2.gz RUIOSWOJBQACJK-SFHVURJKSA-N 0 1 317.477 2.104 10 70 DEIEMN CCn1cnnc1[C@@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000161416503 402386371 /nfs/dbraw/zinc/38/63/71/402386371.db2.gz AZNUSYWKBQVJHM-CQSZACIVSA-N 0 1 310.405 2.325 10 70 DEIEMN CN(C)[C@H](CNc1nc(C(C)(C)C)ns1)c1cnn(C)c1 ZINC000159544167 402325143 /nfs/dbraw/zinc/32/51/43/402325143.db2.gz ADSJFAPXGWUKSJ-LLVKDONJSA-N 0 1 308.455 2.284 10 70 DEIEMN Cc1cc(C[C@H](C)NC(=O)c2ncccc2OC(C)C)n[nH]1 ZINC000161444895 402387576 /nfs/dbraw/zinc/38/75/76/402387576.db2.gz ZJLXEVRBZQPXHI-NSHDSACASA-N 0 1 302.378 2.261 10 70 DEIEMN COC(=O)c1cc(CN2CCC(c3ccnn3C)CC2)oc1C ZINC000160523659 402349061 /nfs/dbraw/zinc/34/90/61/402349061.db2.gz XBJGJVGDEGSBSW-UHFFFAOYSA-N 0 1 317.389 2.488 10 70 DEIEMN COC[C@@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000159440397 197353411 /nfs/dbraw/zinc/35/34/11/197353411.db2.gz HUOORQHOTNXTCH-TZMCWYRMSA-N 0 1 308.378 2.067 10 70 DEIEMN O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(F)c(F)c1 ZINC000159922700 402333555 /nfs/dbraw/zinc/33/35/55/402333555.db2.gz BUUIGSUSTKKVKE-BETUJISGSA-N 0 1 322.355 2.281 10 70 DEIEMN CCOC(C)(C)CNCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000159370989 197348533 /nfs/dbraw/zinc/34/85/33/197348533.db2.gz WLJQWWBCJCUWKZ-UHFFFAOYSA-N 0 1 309.797 2.481 10 70 DEIEMN Cc1nc([C@H](NC(=O)c2ccc(=O)[nH]c2C)c2ccccc2)n[nH]1 ZINC000161293102 402380480 /nfs/dbraw/zinc/38/04/80/402380480.db2.gz YKRSBCNKELEWNN-OAHLLOKOSA-N 0 1 323.356 2.042 10 70 DEIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3ncon3)cc2)n[nH]1 ZINC000161156760 197470287 /nfs/dbraw/zinc/47/02/87/197470287.db2.gz PEWLQRDXUBNWAD-SNVBAGLBSA-N 0 1 311.345 2.129 10 70 DEIEMN CCc1nc(CN2CCN([C@H](C)c3cccc(F)c3)CC2)n[nH]1 ZINC000159458316 402324161 /nfs/dbraw/zinc/32/41/61/402324161.db2.gz ITFGZPPKANXXQB-CYBMUJFWSA-N 0 1 317.412 2.385 10 70 DEIEMN Cc1ccccc1CNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160983155 402368320 /nfs/dbraw/zinc/36/83/20/402368320.db2.gz XGSLLQDPYZJLTJ-IEBWSBKVSA-N 0 1 316.445 2.238 10 70 DEIEMN COCCOC1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000159722124 402329155 /nfs/dbraw/zinc/32/91/55/402329155.db2.gz JHBFNNGZEOGLKF-UHFFFAOYSA-N 0 1 324.440 2.385 10 70 DEIEMN CC1(C)C[C@H](NC(=O)CCc2nc[nH]n2)c2ccccc2O1 ZINC000159876266 276146230 /nfs/dbraw/zinc/14/62/30/276146230.db2.gz DQZWBCAITGFWEH-LBPRGKRZSA-N 0 1 300.362 2.156 10 70 DEIEMN Cc1[nH]nc(C(C)C)c1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000159538075 402325215 /nfs/dbraw/zinc/32/52/15/402325215.db2.gz NYTDCARMZYRMCX-STQMWFEESA-N 0 1 322.453 2.071 10 70 DEIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000159538075 402325217 /nfs/dbraw/zinc/32/52/17/402325217.db2.gz NYTDCARMZYRMCX-STQMWFEESA-N 0 1 322.453 2.071 10 70 DEIEMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)NCC(F)(F)F ZINC000160581165 402352413 /nfs/dbraw/zinc/35/24/13/402352413.db2.gz NUPCSJXJSSRECM-VIFPVBQESA-N 0 1 320.359 2.276 10 70 DEIEMN CCOCCOCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000161453997 402388269 /nfs/dbraw/zinc/38/82/69/402388269.db2.gz NTOPMUWZKSQDCD-UHFFFAOYSA-N 0 1 307.350 2.278 10 70 DEIEMN CCC[C@@H](C(=O)N1CCCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000161349039 402383884 /nfs/dbraw/zinc/38/38/84/402383884.db2.gz FGDBZSXLBOWGQN-SFHVURJKSA-N 0 1 317.477 2.451 10 70 DEIEMN CC(=O)Nc1cccc(NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)c1 ZINC000161185010 539590605 /nfs/dbraw/zinc/59/06/05/539590605.db2.gz BYQXTKCMFSZDQX-LBPRGKRZSA-N 0 1 312.373 2.420 10 70 DEIEMN CN(c1cccnn1)C1CCN(Cc2cnc3ccccn23)CC1 ZINC000159895260 197371838 /nfs/dbraw/zinc/37/18/38/197371838.db2.gz HFQKCPXEWSFIGR-UHFFFAOYSA-N 0 1 322.416 2.225 10 70 DEIEMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@](C)(O)CC ZINC000160519472 402349076 /nfs/dbraw/zinc/34/90/76/402349076.db2.gz MDKRMXUKIMBPMC-QGZVFWFLSA-N 0 1 321.421 2.066 10 70 DEIEMN CCn1cnnc1[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000161350879 402383792 /nfs/dbraw/zinc/38/37/92/402383792.db2.gz LAEVEYUVNJHMOG-GFCCVEGCSA-N 0 1 320.359 2.446 10 70 DEIEMN Cc1cccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160938749 524417666 /nfs/dbraw/zinc/41/76/66/524417666.db2.gz PAMPHVJTTXYYTF-MJGOQNOKSA-N 0 1 316.445 2.238 10 70 DEIEMN C[C@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005704 402290581 /nfs/dbraw/zinc/29/05/81/402290581.db2.gz OQKPXOSUHXSNSH-GDPRMGEGSA-N 0 1 310.444 2.411 10 70 DEIEMN CCC[C@H](C(=O)N1CCCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000161349181 402383821 /nfs/dbraw/zinc/38/38/21/402383821.db2.gz FGDBZSXLBOWGQN-GOSISDBHSA-N 0 1 317.477 2.451 10 70 DEIEMN CCn1c(C)nnc1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000160914705 402365390 /nfs/dbraw/zinc/36/53/90/402365390.db2.gz BJJYVMZEHODEAH-HNNXBMFYSA-N 0 1 314.437 2.244 10 70 DEIEMN COc1ccc(-c2cc(C(=O)N(C)C[C@@H]3CCCO3)n[nH]2)cc1 ZINC000160883971 523091558 /nfs/dbraw/zinc/09/15/58/523091558.db2.gz ZXVFCKYVKSCRAP-AWEZNQCLSA-N 0 1 315.373 2.336 10 70 DEIEMN COc1cc([N-]S(=O)(=O)c2ccccc2C[NH3+])ccc1F ZINC000160233938 197394952 /nfs/dbraw/zinc/39/49/52/197394952.db2.gz GZEUBIXZDIXGMQ-UHFFFAOYSA-N 0 1 310.350 2.094 10 70 DEIEMN CC(C)N(CCc1nccs1)C[C@H](C)CS(C)(=O)=O ZINC000159927030 197374087 /nfs/dbraw/zinc/37/40/87/197374087.db2.gz YYAZINDTUKIDMX-LBPRGKRZSA-N 0 1 304.481 2.077 10 70 DEIEMN C[C@H]1C[C@H](N[C@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005722 402290691 /nfs/dbraw/zinc/29/06/91/402290691.db2.gz OQKPXOSUHXSNSH-LSJOCFKGSA-N 0 1 310.444 2.411 10 70 DEIEMN CCc1nc(CN2CCC(Oc3ccc(C)cn3)CC2)n[nH]1 ZINC000160260843 402339560 /nfs/dbraw/zinc/33/95/60/402339560.db2.gz AANVTARHFVMUCI-UHFFFAOYSA-N 0 1 301.394 2.114 10 70 DEIEMN COC[C@@H](N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000159440142 197353374 /nfs/dbraw/zinc/35/33/74/197353374.db2.gz HUOORQHOTNXTCH-OCCSQVGLSA-N 0 1 308.378 2.067 10 70 DEIEMN COC(=O)c1cc(CN2CCC(c3cc[nH]n3)CC2)oc1C ZINC000160542220 402350725 /nfs/dbraw/zinc/35/07/25/402350725.db2.gz ARPSPEFHCOODRX-UHFFFAOYSA-N 0 1 303.362 2.477 10 70 DEIEMN O=C(NCCc1cc(F)ccc1F)[C@H]1Cc2ccccc2CN1 ZINC000159668322 186134172 /nfs/dbraw/zinc/13/41/72/186134172.db2.gz ZDXIRRIZYHGFTE-QGZVFWFLSA-N 0 1 316.351 2.338 10 70 DEIEMN CCc1nc(CN2CC[C@H](C(=O)OC)c3ccccc32)n[nH]1 ZINC000159564063 197361503 /nfs/dbraw/zinc/36/15/03/197361503.db2.gz IDXUIMPIBBWRML-LBPRGKRZSA-N 0 1 300.362 2.034 10 70 DEIEMN CCc1nc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)n[nH]1 ZINC000159458175 402324045 /nfs/dbraw/zinc/32/40/45/402324045.db2.gz ITFGZPPKANXXQB-ZDUSSCGKSA-N 0 1 317.412 2.385 10 70 DEIEMN Cc1nc([C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)CCO2)n[nH]1 ZINC000160400868 402344257 /nfs/dbraw/zinc/34/42/57/402344257.db2.gz OCVMLAOOIYSZKV-JTQLQIEISA-N 0 1 320.784 2.012 10 70 DEIEMN Cc1nc(C(F)(F)F)c(C(=O)c2ccccc2O)cc1C(N)=O ZINC000217011288 402290551 /nfs/dbraw/zinc/29/05/51/402290551.db2.gz NRHPVUCPGGURNQ-UHFFFAOYSA-N 0 1 324.258 2.444 10 70 DEIEMN CCC[C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000161350508 402384115 /nfs/dbraw/zinc/38/41/15/402384115.db2.gz RUIOSWOJBQACJK-GOSISDBHSA-N 0 1 317.477 2.104 10 70 DEIEMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCc4n[nH]cc43)n2)o1 ZINC000160291265 197398290 /nfs/dbraw/zinc/39/82/90/197398290.db2.gz BYXPGZDQHJGLDX-VIFPVBQESA-N 0 1 312.333 2.155 10 70 DEIEMN CC(C)N(CCc1nccs1)CC(=O)NCc1ccco1 ZINC000159790788 539583446 /nfs/dbraw/zinc/58/34/46/539583446.db2.gz YGIZIRCTKGSQAB-UHFFFAOYSA-N 0 1 307.419 2.305 10 70 DEIEMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@](C)(O)CC ZINC000160519319 402349296 /nfs/dbraw/zinc/34/92/96/402349296.db2.gz MDKRMXUKIMBPMC-KRWDZBQOSA-N 0 1 321.421 2.066 10 70 DEIEMN CCC[C@@H](C(=O)N(C)CC(=O)Nc1cccc(C)c1C)N(C)C ZINC000161442154 402387660 /nfs/dbraw/zinc/38/76/60/402387660.db2.gz OXMFNXJUCVISTG-INIZCTEOSA-N 0 1 319.449 2.431 10 70 DEIEMN CCc1nc(SCc2nnc(-c3ccccc3)n2C)n[nH]1 ZINC000161014232 402369070 /nfs/dbraw/zinc/36/90/70/402369070.db2.gz JVGKSIQFGYAASZ-UHFFFAOYSA-N 0 1 300.391 2.455 10 70 DEIEMN CCc1n[nH]c(SCc2nnc(-c3ccccc3)n2C)n1 ZINC000161014232 402369073 /nfs/dbraw/zinc/36/90/73/402369073.db2.gz JVGKSIQFGYAASZ-UHFFFAOYSA-N 0 1 300.391 2.455 10 70 DEIEMN CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2OC)n1)N(C)C ZINC000159982173 520602165 /nfs/dbraw/zinc/60/21/65/520602165.db2.gz LZAGHMXFZVNZAA-LBPRGKRZSA-N 0 1 317.393 2.149 10 70 DEIEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161060018 402370721 /nfs/dbraw/zinc/37/07/21/402370721.db2.gz ZIGQCSOPCXDRCF-SJLPKXTDSA-N 0 1 308.466 2.310 10 70 DEIEMN Cc1cc(CC(=O)N[C@H](C)c2ccccc2-n2cccn2)[nH]n1 ZINC000159505809 197359166 /nfs/dbraw/zinc/35/91/66/197359166.db2.gz YWBSTFIEYHLRGS-CYBMUJFWSA-N 0 1 309.373 2.324 10 70 DEIEMN CCC[C@H]1CCN(S(=O)(=O)c2cccc(F)c2CN)C1 ZINC000159437019 197353718 /nfs/dbraw/zinc/35/37/18/197353718.db2.gz DDWHCWHEFNHBNJ-NSHDSACASA-N 0 1 300.399 2.095 10 70 DEIEMN CCc1nc(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)n[nH]1 ZINC000160180020 402337429 /nfs/dbraw/zinc/33/74/29/402337429.db2.gz HSFLDCLGQMPQHK-CQSZACIVSA-N 0 1 304.369 2.388 10 70 DEIEMN CCC(CC)CNC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000160538336 402350170 /nfs/dbraw/zinc/35/01/70/402350170.db2.gz DVFLYIIRRRRKFH-AWEZNQCLSA-N 0 1 311.470 2.317 10 70 DEIEMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3ncon3)cc2)n[nH]1 ZINC000161156887 402375285 /nfs/dbraw/zinc/37/52/85/402375285.db2.gz PEWLQRDXUBNWAD-JTQLQIEISA-N 0 1 311.345 2.129 10 70 DEIEMN CCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)N(C)C ZINC000161315197 402382301 /nfs/dbraw/zinc/38/23/01/402382301.db2.gz LJEIOHWDSYGMTB-ZWNOBZJWSA-N 0 1 305.378 2.075 10 70 DEIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000159848738 197368197 /nfs/dbraw/zinc/36/81/97/197368197.db2.gz FTSZZDUFASBFCU-UHFFFAOYSA-N 0 1 324.388 2.352 10 70 DEIEMN CCn1cnnc1[C@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000161320782 402382585 /nfs/dbraw/zinc/38/25/85/402382585.db2.gz OGNGDSXCZRWYMX-HNNXBMFYSA-N 0 1 321.469 2.123 10 70 DEIEMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCc4n[nH]cc43)n2)o1 ZINC000160291134 402340093 /nfs/dbraw/zinc/34/00/93/402340093.db2.gz BYXPGZDQHJGLDX-SECBINFHSA-N 0 1 312.333 2.155 10 70 DEIEMN CCC(CC)CNC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000160538189 402350062 /nfs/dbraw/zinc/35/00/62/402350062.db2.gz DVFLYIIRRRRKFH-CQSZACIVSA-N 0 1 311.470 2.317 10 70 DEIEMN CCC[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)C ZINC000161287413 402380772 /nfs/dbraw/zinc/38/07/72/402380772.db2.gz 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