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]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccn1 ZINC000160028455 332747931 /nfs/dbraw/zinc/74/79/31/332747931.db2.gz GMCDTXOTCKIDRR-NEPJUHHUSA-N 1 2 312.348 3.683 20 70 DHIDLO O=C1[C@H](Sc2[nH+]cc3ccccn32)CCCN1c1ccccc1 ZINC000217203446 337077875 /nfs/dbraw/zinc/07/78/75/337077875.db2.gz GXIZOKAROAOMSK-MRXNPFEDSA-N 1 2 323.421 3.622 20 70 DHIDLO CCOc1ccccc1C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216736042 337226628 /nfs/dbraw/zinc/22/66/28/337226628.db2.gz NVRQWJQKHHPNFU-LJQANCHMSA-N 1 2 310.441 3.574 20 70 DHIDLO CCOc1ccccc1C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216736042 337226629 /nfs/dbraw/zinc/22/66/29/337226629.db2.gz NVRQWJQKHHPNFU-LJQANCHMSA-N 1 2 310.441 3.574 20 70 DHIDLO Nc1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)[nH+]c2ccccc12 ZINC000160615395 334877462 /nfs/dbraw/zinc/87/74/62/334877462.db2.gz XRUPFNAMGBTNTO-WMLDXEAASA-N 1 2 320.396 3.544 20 70 DHIDLO Brc1ccc2[nH+]c(CSc3ccncc3)cn2c1 ZINC000160022767 332747732 /nfs/dbraw/zinc/74/77/32/332747732.db2.gz ULURJFATBPDOBO-UHFFFAOYSA-N 1 2 320.215 3.784 20 70 DHIDLO COc1cc(C)ccc1CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000160522038 334875734 /nfs/dbraw/zinc/87/57/34/334875734.db2.gz WFTIDOKEQHWIHJ-UHFFFAOYSA-N 1 2 320.396 3.776 20 70 DHIDLO Cc1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc[nH+]1 ZINC000217025345 336826524 /nfs/dbraw/zinc/82/65/24/336826524.db2.gz ILUYHLXUKPAPQG-UHFFFAOYSA-N 1 2 306.365 3.806 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000161161571 521395192 /nfs/dbraw/zinc/39/51/92/521395192.db2.gz ZYTBVHATJXYGQC-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000161161571 521395196 /nfs/dbraw/zinc/39/51/96/521395196.db2.gz ZYTBVHATJXYGQC-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161158619 521395608 /nfs/dbraw/zinc/39/56/08/521395608.db2.gz YBFJLJDTBTXDSI-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161158619 521395613 /nfs/dbraw/zinc/39/56/13/521395613.db2.gz YBFJLJDTBTXDSI-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000160102326 521625798 /nfs/dbraw/zinc/62/57/98/521625798.db2.gz JQNDVKWXRXMJAA-XJKSGUPXSA-N 1 2 316.449 3.871 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000160102326 521625803 /nfs/dbraw/zinc/62/58/03/521625803.db2.gz JQNDVKWXRXMJAA-XJKSGUPXSA-N 1 2 316.449 3.871 20 70 DHIDLO CCc1noc(C)c1CSCc1cn2cccc(C)c2[nH+]1 ZINC000159830299 522853601 /nfs/dbraw/zinc/85/36/01/522853601.db2.gz LLROEJMBPPLCEB-UHFFFAOYSA-N 1 2 301.415 3.935 20 70 DHIDLO Cc1[nH+]c(-c2ccncc2)nc(N[C@@H]2CCOC(C)(C)C2)c1C ZINC000160580851 526617369 /nfs/dbraw/zinc/61/73/69/526617369.db2.gz UCBLKOZEFQNBJJ-OAHLLOKOSA-N 1 2 312.417 3.525 20 70 DHIDLO Cc1nn(C)cc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000160652935 527692475 /nfs/dbraw/zinc/69/24/75/527692475.db2.gz GFAKMMJPWSCOPO-UHFFFAOYSA-N 1 2 301.415 3.585 20 70 DHIDLO Cc1nn(C)cc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000160652935 527692476 /nfs/dbraw/zinc/69/24/76/527692476.db2.gz GFAKMMJPWSCOPO-UHFFFAOYSA-N 1 2 301.415 3.585 20 70 DHIDLO C[C@H](c1c(F)cccc1F)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161219825 337573799 /nfs/dbraw/zinc/57/37/99/337573799.db2.gz UGETXVZNVODZIZ-YMTOWFKASA-N 1 2 323.305 3.661 20 70 DHIDLO CC(C)c1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159876717 519846217 /nfs/dbraw/zinc/84/62/17/519846217.db2.gz GZVUDXVRGOWJDB-HNNXBMFYSA-N 1 2 324.428 3.605 20 70 DHIDLO CCCCc1noc([C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159788763 521345277 /nfs/dbraw/zinc/34/52/77/521345277.db2.gz IJKFKSVAOYIDPQ-CQSZACIVSA-N 1 2 316.449 3.671 20 70 DHIDLO CCCCc1noc([C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159788763 521345287 /nfs/dbraw/zinc/34/52/87/521345287.db2.gz IJKFKSVAOYIDPQ-CQSZACIVSA-N 1 2 316.449 3.671 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000161039464 521396195 /nfs/dbraw/zinc/39/61/95/521396195.db2.gz QIHDTAUZWRDOGQ-ZDUSSCGKSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000161039464 521396205 /nfs/dbraw/zinc/39/62/05/521396205.db2.gz QIHDTAUZWRDOGQ-ZDUSSCGKSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[C@H](C)Oc1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161099478 521774278 /nfs/dbraw/zinc/77/42/78/521774278.db2.gz LLTWZDLZAHOERN-JEYLPNPQSA-N 1 2 304.434 3.723 20 70 DHIDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccccn3)n2)c1 ZINC000160045756 525742114 /nfs/dbraw/zinc/74/21/14/525742114.db2.gz LVQXYVCNGQQQSX-STQMWFEESA-N 1 2 324.384 3.552 20 70 DHIDLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000159492018 332190944 /nfs/dbraw/zinc/19/09/44/332190944.db2.gz AOOALGAWBTUDPT-ARFHVFGLSA-N 1 2 311.429 3.557 20 70 DHIDLO CC(C)c1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)s1 ZINC000161169852 332662817 /nfs/dbraw/zinc/66/28/17/332662817.db2.gz CSBJIGOGAFKXGZ-UHFFFAOYSA-N 1 2 312.398 3.909 20 70 DHIDLO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cscn1 ZINC000161172145 333371716 /nfs/dbraw/zinc/37/17/16/333371716.db2.gz WYBKGCUWXBEEPJ-SSDOTTSWSA-N 1 2 303.250 3.818 20 70 DHIDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1F)c1nccs1 ZINC000161139563 333818922 /nfs/dbraw/zinc/81/89/22/333818922.db2.gz BWQBYIXKHCPRDR-WCQYABFASA-N 1 2 321.421 3.659 20 70 DHIDLO CC(=O)Nc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000160378931 519751049 /nfs/dbraw/zinc/75/10/49/519751049.db2.gz YVUOFAPTCKLVSN-UHFFFAOYSA-N 1 2 321.380 3.590 20 70 DHIDLO CCCO[C@@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)CC1 ZINC000160109512 520275613 /nfs/dbraw/zinc/27/56/13/520275613.db2.gz IKAMKWNQSICDBJ-MRXNPFEDSA-N 1 2 321.465 3.898 20 70 DHIDLO CCCO[C@@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)CC1 ZINC000160109512 520275623 /nfs/dbraw/zinc/27/56/23/520275623.db2.gz IKAMKWNQSICDBJ-MRXNPFEDSA-N 1 2 321.465 3.898 20 70 DHIDLO CCc1nnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)[nH]1 ZINC000160497347 522346675 /nfs/dbraw/zinc/34/66/75/522346675.db2.gz JNQDITHWIDEXBI-QGZVFWFLSA-N 1 2 302.397 3.527 20 70 DHIDLO CCc1nnc(C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)[nH]1 ZINC000160757790 522346823 /nfs/dbraw/zinc/34/68/23/522346823.db2.gz QAYKRCJRTVONKU-OAHLLOKOSA-N 1 2 310.804 3.647 20 70 DHIDLO C[N@H+](CCOc1ccccc1F)Cc1csc(C2CC2)n1 ZINC000161318011 522922366 /nfs/dbraw/zinc/92/23/66/522922366.db2.gz DLTRGMZONQGWHC-UHFFFAOYSA-N 1 2 306.406 3.670 20 70 DHIDLO C[N@@H+](CCOc1ccccc1F)Cc1csc(C2CC2)n1 ZINC000161318011 522922374 /nfs/dbraw/zinc/92/23/74/522922374.db2.gz DLTRGMZONQGWHC-UHFFFAOYSA-N 1 2 306.406 3.670 20 70 DHIDLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000160702235 523371556 /nfs/dbraw/zinc/37/15/56/523371556.db2.gz WHEHZWJGUAPIBS-OAHLLOKOSA-N 1 2 312.442 3.850 20 70 DHIDLO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000160702235 523371565 /nfs/dbraw/zinc/37/15/65/523371565.db2.gz WHEHZWJGUAPIBS-OAHLLOKOSA-N 1 2 312.442 3.850 20 70 DHIDLO CCCC1(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000159985713 332741465 /nfs/dbraw/zinc/74/14/65/332741465.db2.gz PXJNVXHRNOBDOY-UHFFFAOYSA-N 1 2 312.417 3.789 20 70 DHIDLO CC[C@@H](C)c1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)on1 ZINC000160090882 522423818 /nfs/dbraw/zinc/42/38/18/522423818.db2.gz VTCPTKROHGOQRY-GFCCVEGCSA-N 1 2 310.357 3.626 20 70 DHIDLO Cc1cccc2nc(C[NH2+][C@@H](C)c3cccnc3Cl)cn21 ZINC000160305394 524987470 /nfs/dbraw/zinc/98/74/70/524987470.db2.gz XZZWAFPUFVCYTN-LBPRGKRZSA-N 1 2 300.793 3.542 20 70 DHIDLO c1ccc2c(c1)CC[C@]21C[N@H+](Cc2nc3ccccc3o2)CCO1 ZINC000159667561 526506325 /nfs/dbraw/zinc/50/63/25/526506325.db2.gz QWLSCCDJAXZAFE-FQEVSTJZSA-N 1 2 320.392 3.502 20 70 DHIDLO c1ccc2c(c1)CC[C@]21C[N@@H+](Cc2nc3ccccc3o2)CCO1 ZINC000159667561 526506335 /nfs/dbraw/zinc/50/63/35/526506335.db2.gz QWLSCCDJAXZAFE-FQEVSTJZSA-N 1 2 320.392 3.502 20 70 DHIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160471126 527167015 /nfs/dbraw/zinc/16/70/15/527167015.db2.gz JGWXCZRKEPPOFX-GDBMZVCRSA-N 1 2 313.445 3.677 20 70 DHIDLO O=C(N[C@H]1CCCc2sccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000160466444 332803640 /nfs/dbraw/zinc/80/36/40/332803640.db2.gz KNSAFDGCRIFIDK-INIZCTEOSA-N 1 2 323.421 3.741 20 70 DHIDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1nccs1 ZINC000161117392 333814974 /nfs/dbraw/zinc/81/49/74/333814974.db2.gz RTIFOHYNIBJMGN-CMPLNLGQSA-N 1 2 323.849 3.864 20 70 DHIDLO CCC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000160753996 521255133 /nfs/dbraw/zinc/25/51/33/521255133.db2.gz UJBUPDANOUSKBY-GOSISDBHSA-N 1 2 310.397 3.521 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000161124065 521396056 /nfs/dbraw/zinc/39/60/56/521396056.db2.gz GWTNFKRFUBCQMO-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000161124065 521396066 /nfs/dbraw/zinc/39/60/66/521396066.db2.gz GWTNFKRFUBCQMO-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO Cc1cc(C)c(-c2nnc(SCCn3cc[nH+]c3)o2)c(C)c1 ZINC000160131946 524211520 /nfs/dbraw/zinc/21/15/20/524211520.db2.gz RFRDNWDTJGYRFD-UHFFFAOYSA-N 1 2 314.414 3.651 20 70 DHIDLO C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000161218447 524471646 /nfs/dbraw/zinc/47/16/46/524471646.db2.gz JRSNMPREXKOMFF-ZIAGYGMSSA-N 1 2 312.417 3.597 20 70 DHIDLO Cc1[nH+]c(-c2ccncc2)nc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000160347412 526617573 /nfs/dbraw/zinc/61/75/73/526617573.db2.gz GQANXYMACWREOH-IAGOWNOFSA-N 1 2 324.428 3.525 20 70 DHIDLO CC(=O)NC1CCC([NH2+]c2ccc(OC(C)(C)C)cc2)CC1 ZINC000161107002 519645632 /nfs/dbraw/zinc/64/56/32/519645632.db2.gz RJOMSVNRQAXUAC-UHFFFAOYSA-N 1 2 304.434 3.723 20 70 DHIDLO CCC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000160754133 521255373 /nfs/dbraw/zinc/25/53/73/521255373.db2.gz UJBUPDANOUSKBY-SFHVURJKSA-N 1 2 310.397 3.521 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000161157299 521394445 /nfs/dbraw/zinc/39/44/45/521394445.db2.gz FINXDMMNJJKCOO-AWEZNQCLSA-N 1 2 308.385 3.715 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000161157299 521394460 /nfs/dbraw/zinc/39/44/60/521394460.db2.gz FINXDMMNJJKCOO-AWEZNQCLSA-N 1 2 308.385 3.715 20 70 DHIDLO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)[nH]1 ZINC000160757894 522356024 /nfs/dbraw/zinc/35/60/24/522356024.db2.gz QAYKRCJRTVONKU-HNNXBMFYSA-N 1 2 310.804 3.647 20 70 DHIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160470971 527167884 /nfs/dbraw/zinc/16/78/84/527167884.db2.gz JGWXCZRKEPPOFX-HOCLYGCPSA-N 1 2 313.445 3.677 20 70 DHIDLO Nc1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)[nH+]c2ccccc12 ZINC000160615133 334877298 /nfs/dbraw/zinc/87/72/98/334877298.db2.gz XRUPFNAMGBTNTO-RHSMWYFYSA-N 1 2 320.396 3.544 20 70 DHIDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cl)c1nccs1 ZINC000161117600 333815036 /nfs/dbraw/zinc/81/50/36/333815036.db2.gz RTIFOHYNIBJMGN-ZYHUDNBSSA-N 1 2 323.849 3.864 20 70 DHIDLO CCCCc1noc([C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159788897 521349583 /nfs/dbraw/zinc/34/95/83/521349583.db2.gz IJKFKSVAOYIDPQ-AWEZNQCLSA-N 1 2 316.449 3.671 20 70 DHIDLO CCCCc1noc([C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159788897 521349594 /nfs/dbraw/zinc/34/95/94/521349594.db2.gz IJKFKSVAOYIDPQ-AWEZNQCLSA-N 1 2 316.449 3.671 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000161196339 521395150 /nfs/dbraw/zinc/39/51/50/521395150.db2.gz QUUUUFVORVICOH-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000161196339 521395155 /nfs/dbraw/zinc/39/51/55/521395155.db2.gz QUUUUFVORVICOH-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[C@@H]1C ZINC000161218348 524511097 /nfs/dbraw/zinc/51/10/97/524511097.db2.gz JRSNMPREXKOMFF-KBPBESRZSA-N 1 2 312.417 3.597 20 70 DHIDLO c1ccc([C@@H]2C[C@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000160625467 526494632 /nfs/dbraw/zinc/49/46/32/526494632.db2.gz QNLKGFFCIQRVQJ-SJORKVTESA-N 1 2 324.428 3.631 20 70 DHIDLO c1ccc([C@@H]2C[C@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000160625467 526494635 /nfs/dbraw/zinc/49/46/35/526494635.db2.gz QNLKGFFCIQRVQJ-SJORKVTESA-N 1 2 324.428 3.631 20 70 DHIDLO Cc1[nH+]c(-c2ccncc2)nc(N[C@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000160347543 526617299 /nfs/dbraw/zinc/61/72/99/526617299.db2.gz GQANXYMACWREOH-DLBZAZTESA-N 1 2 324.428 3.525 20 70 DHIDLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000159492296 332190961 /nfs/dbraw/zinc/19/09/61/332190961.db2.gz AOOALGAWBTUDPT-BZUAXINKSA-N 1 2 311.429 3.557 20 70 DHIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000160924454 519786547 /nfs/dbraw/zinc/78/65/47/519786547.db2.gz BTIVFDNCHAADHN-CYBMUJFWSA-N 1 2 317.882 3.546 20 70 DHIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000160924454 519786548 /nfs/dbraw/zinc/78/65/48/519786548.db2.gz BTIVFDNCHAADHN-CYBMUJFWSA-N 1 2 317.882 3.546 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000161062271 521395390 /nfs/dbraw/zinc/39/53/90/521395390.db2.gz POVQPDWMFOIIOM-HNNXBMFYSA-N 1 2 322.412 3.639 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000161062271 521395395 /nfs/dbraw/zinc/39/53/95/521395395.db2.gz POVQPDWMFOIIOM-HNNXBMFYSA-N 1 2 322.412 3.639 20 70 DHIDLO CCc1nnc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)[nH]1 ZINC000160462783 522355576 /nfs/dbraw/zinc/35/55/76/522355576.db2.gz WKAIYCGKMUKUQL-QGZVFWFLSA-N 1 2 324.403 3.580 20 70 DHIDLO CC[C@@H](c1nnc(SCCn2cc[nH+]c2)o1)c1ccccc1 ZINC000160129252 523130693 /nfs/dbraw/zinc/13/06/93/523130693.db2.gz PVEDRWKOELXSMD-CQSZACIVSA-N 1 2 314.414 3.600 20 70 DHIDLO CCc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)o1 ZINC000160926212 523920995 /nfs/dbraw/zinc/92/09/95/523920995.db2.gz NMPWZMCDGBMHAG-UHFFFAOYSA-N 1 2 300.402 3.529 20 70 DHIDLO CCc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)o1 ZINC000160926212 523921000 /nfs/dbraw/zinc/92/10/00/523921000.db2.gz NMPWZMCDGBMHAG-UHFFFAOYSA-N 1 2 300.402 3.529 20 70 DHIDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000160308385 526127102 /nfs/dbraw/zinc/12/71/02/526127102.db2.gz DFMDJEPLFNSWQS-ZDUSSCGKSA-N 1 2 313.376 3.641 20 70 DHIDLO CCC[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C(=O)OCC ZINC000159730112 332695368 /nfs/dbraw/zinc/69/53/68/332695368.db2.gz NHPWCQMPHKMIEZ-SFHVURJKSA-N 1 2 312.413 3.570 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161158483 521396854 /nfs/dbraw/zinc/39/68/54/521396854.db2.gz YBFJLJDTBTXDSI-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161158483 521396862 /nfs/dbraw/zinc/39/68/62/521396862.db2.gz YBFJLJDTBTXDSI-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161058601 521396888 /nfs/dbraw/zinc/39/68/88/521396888.db2.gz MHVGOQHZCOTIMG-CYBMUJFWSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161058601 521396897 /nfs/dbraw/zinc/39/68/97/521396897.db2.gz MHVGOQHZCOTIMG-CYBMUJFWSA-N 1 2 317.820 3.584 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000159684779 521625533 /nfs/dbraw/zinc/62/55/33/521625533.db2.gz NHKGWUPKVVDQJQ-CXAGYDPISA-N 1 2 316.424 3.719 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000159684779 521625536 /nfs/dbraw/zinc/62/55/36/521625536.db2.gz NHKGWUPKVVDQJQ-CXAGYDPISA-N 1 2 316.424 3.719 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000160111357 521626044 /nfs/dbraw/zinc/62/60/44/521626044.db2.gz BBTLENRQBJUTQD-DZGCQCFKSA-N 1 2 302.422 3.563 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000160111357 521626046 /nfs/dbraw/zinc/62/60/46/521626046.db2.gz BBTLENRQBJUTQD-DZGCQCFKSA-N 1 2 302.422 3.563 20 70 DHIDLO c1cc(-c2nc(C[NH2+]C3(c4ccccc4)CCC3)no2)cs1 ZINC000160618042 526414745 /nfs/dbraw/zinc/41/47/45/526414745.db2.gz RUSNVRRHKJQZNP-UHFFFAOYSA-N 1 2 311.410 3.967 20 70 DHIDLO c1ccc([C@H]2C[C@@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000160625815 526499227 /nfs/dbraw/zinc/49/92/27/526499227.db2.gz QNLKGFFCIQRVQJ-DLBZAZTESA-N 1 2 324.428 3.631 20 70 DHIDLO c1ccc([C@H]2C[C@@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000160625815 526499228 /nfs/dbraw/zinc/49/92/28/526499228.db2.gz QNLKGFFCIQRVQJ-DLBZAZTESA-N 1 2 324.428 3.631 20 70 DHIDLO C[C@H](c1cccs1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160800322 333368656 /nfs/dbraw/zinc/36/86/56/333368656.db2.gz UYXVEBPEODTVMY-CYBMUJFWSA-N 1 2 312.442 3.737 20 70 DHIDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160800322 333368658 /nfs/dbraw/zinc/36/86/58/333368658.db2.gz UYXVEBPEODTVMY-CYBMUJFWSA-N 1 2 312.442 3.737 20 70 DHIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000160633282 338557860 /nfs/dbraw/zinc/55/78/60/338557860.db2.gz PPEFCFWAHMBGNO-JKSUJKDBSA-N 1 2 323.421 3.984 20 70 DHIDLO CC(=O)NC1CCC([NH2+]c2ccc(OC(C)C)c(C)c2)CC1 ZINC000161189623 519645797 /nfs/dbraw/zinc/64/57/97/519645797.db2.gz SZVKEHZNUBAVKD-UHFFFAOYSA-N 1 2 304.434 3.641 20 70 DHIDLO CCCCN(C)c1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161173844 520436800 /nfs/dbraw/zinc/43/68/00/520436800.db2.gz ZNWZVXPDRCBUKA-UHFFFAOYSA-N 1 2 317.477 3.782 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161058476 521395364 /nfs/dbraw/zinc/39/53/64/521395364.db2.gz MHVGOQHZCOTIMG-ZDUSSCGKSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161058476 521395372 /nfs/dbraw/zinc/39/53/72/521395372.db2.gz MHVGOQHZCOTIMG-ZDUSSCGKSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000161186625 521396501 /nfs/dbraw/zinc/39/65/01/521396501.db2.gz QAOPEHZZRGKANO-ZDUSSCGKSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000161186625 521396514 /nfs/dbraw/zinc/39/65/14/521396514.db2.gz QAOPEHZZRGKANO-ZDUSSCGKSA-N 1 2 317.820 3.584 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000161347590 521622587 /nfs/dbraw/zinc/62/25/87/521622587.db2.gz DRQIWBFUDPGUCA-UHFFFAOYSA-N 1 2 318.440 3.936 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000161347590 521622591 /nfs/dbraw/zinc/62/25/91/521622591.db2.gz DRQIWBFUDPGUCA-UHFFFAOYSA-N 1 2 318.440 3.936 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000161062383 521397109 /nfs/dbraw/zinc/39/71/09/521397109.db2.gz POVQPDWMFOIIOM-OAHLLOKOSA-N 1 2 322.412 3.639 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000161062383 521397115 /nfs/dbraw/zinc/39/71/15/521397115.db2.gz POVQPDWMFOIIOM-OAHLLOKOSA-N 1 2 322.412 3.639 20 70 DHIDLO FC(F)(F)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000160069601 527683921 /nfs/dbraw/zinc/68/39/21/527683921.db2.gz ARLZNURVYXKOBI-UHFFFAOYSA-N 1 2 318.302 3.898 20 70 DHIDLO COC(=O)C1([NH2+]Cc2ccccc2C(F)(F)F)CCCCC1 ZINC000217095433 331522398 /nfs/dbraw/zinc/52/23/98/331522398.db2.gz SCAXEARICJBYCJ-UHFFFAOYSA-N 1 2 315.335 3.671 20 70 DHIDLO CC(=O)NC1CCC([NH2+]c2ccc(OC3CCCC3)cc2)CC1 ZINC000161088036 519646488 /nfs/dbraw/zinc/64/64/88/519646488.db2.gz JMNJZHFHPRZTLN-UHFFFAOYSA-N 1 2 316.445 3.867 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000161183027 521396646 /nfs/dbraw/zinc/39/66/46/521396646.db2.gz BHIQZFNCXLOSOO-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000161183027 521396654 /nfs/dbraw/zinc/39/66/54/521396654.db2.gz BHIQZFNCXLOSOO-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO Cc1[nH+]c(-c2ccncc2)nc(N[C@@H]2CCO[C@H](C3CC3)C2)c1C ZINC000160347130 526617976 /nfs/dbraw/zinc/61/79/76/526617976.db2.gz GQANXYMACWREOH-SJORKVTESA-N 1 2 324.428 3.525 20 70 DHIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(-c3ccco3)on2)n1 ZINC000160441624 333342947 /nfs/dbraw/zinc/34/29/47/333342947.db2.gz TZKISPMVFYWOPJ-INIZCTEOSA-N 1 2 309.369 3.975 20 70 DHIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(-c3ccco3)on2)n1 ZINC000160441624 333342949 /nfs/dbraw/zinc/34/29/49/333342949.db2.gz TZKISPMVFYWOPJ-INIZCTEOSA-N 1 2 309.369 3.975 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000161039585 521395927 /nfs/dbraw/zinc/39/59/27/521395927.db2.gz QIHDTAUZWRDOGQ-CYBMUJFWSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000161039585 521395938 /nfs/dbraw/zinc/39/59/38/521395938.db2.gz QIHDTAUZWRDOGQ-CYBMUJFWSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000161124203 521396987 /nfs/dbraw/zinc/39/69/87/521396987.db2.gz GWTNFKRFUBCQMO-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000161124203 521396994 /nfs/dbraw/zinc/39/69/94/521396994.db2.gz GWTNFKRFUBCQMO-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO c1ccc2c(c1)CC[C@@]21C[N@H+](Cc2nc3ccccc3o2)CCO1 ZINC000159667446 526504399 /nfs/dbraw/zinc/50/43/99/526504399.db2.gz QWLSCCDJAXZAFE-HXUWFJFHSA-N 1 2 320.392 3.502 20 70 DHIDLO c1ccc2c(c1)CC[C@@]21C[N@@H+](Cc2nc3ccccc3o2)CCO1 ZINC000159667446 526504406 /nfs/dbraw/zinc/50/44/06/526504406.db2.gz QWLSCCDJAXZAFE-HXUWFJFHSA-N 1 2 320.392 3.502 20 70 DHIDLO Cc1[nH+]c(-c2ccncc2)nc(N[C@H]2CCO[C@H](C3CC3)C2)c1C ZINC000160347264 526617902 /nfs/dbraw/zinc/61/79/02/526617902.db2.gz GQANXYMACWREOH-IRXDYDNUSA-N 1 2 324.428 3.525 20 70 DHIDLO Nc1nc(N[C@H]2CCO[C@H](c3ccccc3)C2)[nH+]c2ccccc12 ZINC000160615257 334877434 /nfs/dbraw/zinc/87/74/34/334877434.db2.gz XRUPFNAMGBTNTO-YOEHRIQHSA-N 1 2 320.396 3.544 20 70 DHIDLO CC(C)c1nc(NC[C@@](C)(O)c2ccccc2Cl)cc[nH+]1 ZINC000160169357 334868724 /nfs/dbraw/zinc/86/87/24/334868724.db2.gz GWSISIJNYAOWEK-MRXNPFEDSA-N 1 2 305.809 3.573 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000161157411 521397162 /nfs/dbraw/zinc/39/71/62/521397162.db2.gz FINXDMMNJJKCOO-CQSZACIVSA-N 1 2 308.385 3.715 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000161157411 521397165 /nfs/dbraw/zinc/39/71/65/521397165.db2.gz FINXDMMNJJKCOO-CQSZACIVSA-N 1 2 308.385 3.715 20 70 DHIDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160377759 526243212 /nfs/dbraw/zinc/24/32/12/526243212.db2.gz PFRLWLKSUPQWCJ-UHFFFAOYSA-N 1 2 310.444 3.550 20 70 DHIDLO c1cn(CCSc2nnc(CCC3CCCCC3)o2)c[nH+]1 ZINC000160124711 526532702 /nfs/dbraw/zinc/53/27/02/526532702.db2.gz CKFMJPIUTZCDAG-UHFFFAOYSA-N 1 2 306.435 3.571 20 70 DHIDLO CC(C)(C)c1nsc(Oc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000159564879 332621195 /nfs/dbraw/zinc/62/11/95/332621195.db2.gz GNEXVWPRVRHURR-UHFFFAOYSA-N 1 2 300.387 3.814 20 70 DHIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N(CC2CC2)CC2CC2)c1 ZINC000159563338 332661174 /nfs/dbraw/zinc/66/11/74/332661174.db2.gz DKBZEHFNGHTUOT-UHFFFAOYSA-N 1 2 324.428 3.741 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000161186762 521396559 /nfs/dbraw/zinc/39/65/59/521396559.db2.gz QAOPEHZZRGKANO-CYBMUJFWSA-N 1 2 317.820 3.584 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000161186762 521396567 /nfs/dbraw/zinc/39/65/67/521396567.db2.gz QAOPEHZZRGKANO-CYBMUJFWSA-N 1 2 317.820 3.584 20 70 DHIDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000160308502 526122535 /nfs/dbraw/zinc/12/25/35/526122535.db2.gz DFMDJEPLFNSWQS-CYBMUJFWSA-N 1 2 313.376 3.641 20 70 DHIDLO CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000159554788 332658442 /nfs/dbraw/zinc/65/84/42/332658442.db2.gz GIQAHLIQLHUMOO-INIZCTEOSA-N 1 2 324.384 3.609 20 70 DHIDLO O=C1[C@@H](Sc2[nH+]cc3ccccn32)CCCN1c1ccccc1 ZINC000217203441 337077873 /nfs/dbraw/zinc/07/78/73/337077873.db2.gz GXIZOKAROAOMSK-INIZCTEOSA-N 1 2 323.421 3.622 20 70 DHIDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161219693 337571328 /nfs/dbraw/zinc/57/13/28/337571328.db2.gz UGETXVZNVODZIZ-LKFCYVNXSA-N 1 2 323.305 3.661 20 70 DHIDLO CC(C)c1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159876585 519845791 /nfs/dbraw/zinc/84/57/91/519845791.db2.gz GZVUDXVRGOWJDB-OAHLLOKOSA-N 1 2 324.428 3.605 20 70 DHIDLO c1ccc([C@@H]2C[C@@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000160625717 526493058 /nfs/dbraw/zinc/49/30/58/526493058.db2.gz QNLKGFFCIQRVQJ-IRXDYDNUSA-N 1 2 324.428 3.631 20 70 DHIDLO c1ccc([C@@H]2C[C@@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000160625717 526493063 /nfs/dbraw/zinc/49/30/63/526493063.db2.gz QNLKGFFCIQRVQJ-IRXDYDNUSA-N 1 2 324.428 3.631 20 70 DHIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(-c3ccco3)on2)n1 ZINC000160441753 333342967 /nfs/dbraw/zinc/34/29/67/333342967.db2.gz TZKISPMVFYWOPJ-MRXNPFEDSA-N 1 2 309.369 3.975 20 70 DHIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(-c3ccco3)on2)n1 ZINC000160441753 333342969 /nfs/dbraw/zinc/34/29/69/333342969.db2.gz TZKISPMVFYWOPJ-MRXNPFEDSA-N 1 2 309.369 3.975 20 70 DHIDLO Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc[nH+]1 ZINC000160377012 333527800 /nfs/dbraw/zinc/52/78/00/333527800.db2.gz DYPQNFWVISYORH-UHFFFAOYSA-N 1 2 310.444 3.550 20 70 DHIDLO CCCCC1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160398424 338549444 /nfs/dbraw/zinc/54/94/44/338549444.db2.gz AWHJMNATFXYRFV-JCYILVPMSA-N 1 2 317.477 3.558 20 70 DHIDLO Cc1[nH+]cccc1NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218115094 340491954 /nfs/dbraw/zinc/49/19/54/340491954.db2.gz MSEXFQCMYGMBLC-UHFFFAOYSA-N 1 2 305.422 3.638 20 70 DHIDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cncs1 ZINC000161474476 518700449 /nfs/dbraw/zinc/70/04/49/518700449.db2.gz SQHPMUQMBHSBKT-UHFFFAOYSA-N 1 2 321.421 3.521 20 70 DHIDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cncs1 ZINC000161474476 518700457 /nfs/dbraw/zinc/70/04/57/518700457.db2.gz SQHPMUQMBHSBKT-UHFFFAOYSA-N 1 2 321.421 3.521 20 70 DHIDLO COc1cc(C)ccc1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000160520777 332814038 /nfs/dbraw/zinc/81/40/38/332814038.db2.gz JRRMJVSYABTAQK-UHFFFAOYSA-N 1 2 320.396 3.776 20 70 DHIDLO c1cn(-c2cccc(OCc3noc(C4CCCCC4)n3)c2)c[nH+]1 ZINC000160892976 333680013 /nfs/dbraw/zinc/68/00/13/333680013.db2.gz SRJBLLPWEVDTPJ-UHFFFAOYSA-N 1 2 324.384 3.882 20 70 DHIDLO CCCCC1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160398295 338549386 /nfs/dbraw/zinc/54/93/86/338549386.db2.gz AWHJMNATFXYRFV-OFLPRAFFSA-N 1 2 317.477 3.558 20 70 DHIDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1scnc1C ZINC000160741916 521554138 /nfs/dbraw/zinc/55/41/38/521554138.db2.gz YPJJTWJFBLNXAK-UHFFFAOYSA-N 1 2 317.458 3.611 20 70 DHIDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1scnc1C ZINC000160741916 521554165 /nfs/dbraw/zinc/55/41/65/521554165.db2.gz YPJJTWJFBLNXAK-UHFFFAOYSA-N 1 2 317.458 3.611 20 70 DHIDLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(CC)[nH]1 ZINC000160488530 521585779 /nfs/dbraw/zinc/58/57/79/521585779.db2.gz RDHDXQAAOOVEJC-HNNXBMFYSA-N 1 2 316.449 3.643 20 70 DHIDLO CN(C)c1cccc(C[N@H+](C)Cc2ncc(C(C)(C)C)o2)c1 ZINC000159849807 522266607 /nfs/dbraw/zinc/26/66/07/522266607.db2.gz GLSNLJVKUULRGM-UHFFFAOYSA-N 1 2 301.434 3.670 20 70 DHIDLO CN(C)c1cccc(C[N@@H+](C)Cc2ncc(C(C)(C)C)o2)c1 ZINC000159849807 522266616 /nfs/dbraw/zinc/26/66/16/522266616.db2.gz GLSNLJVKUULRGM-UHFFFAOYSA-N 1 2 301.434 3.670 20 70 DHIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160471222 527167028 /nfs/dbraw/zinc/16/70/28/527167028.db2.gz JGWXCZRKEPPOFX-ZBFHGGJFSA-N 1 2 313.445 3.677 20 70 DHIDLO c1cn(CCSc2nnc(-c3cccc4ccccc43)o2)c[nH+]1 ZINC000160147070 332764177 /nfs/dbraw/zinc/76/41/77/332764177.db2.gz BCOUOMDTQRSRAR-UHFFFAOYSA-N 1 2 322.393 3.879 20 70 DHIDLO CCc1cccc(CC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000159387959 332082267 /nfs/dbraw/zinc/08/22/67/332082267.db2.gz IPCXNISIUJXCEZ-UHFFFAOYSA-N 1 2 319.408 3.831 20 70 DHIDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160800224 333368683 /nfs/dbraw/zinc/36/86/83/333368683.db2.gz UYXVEBPEODTVMY-ZDUSSCGKSA-N 1 2 312.442 3.737 20 70 DHIDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160800224 333368685 /nfs/dbraw/zinc/36/86/85/333368685.db2.gz UYXVEBPEODTVMY-ZDUSSCGKSA-N 1 2 312.442 3.737 20 70 DHIDLO Cc1[nH+]c2ccccn2c1CN(CC1CCC1)CC(F)(F)F ZINC000160972514 333728909 /nfs/dbraw/zinc/72/89/09/333728909.db2.gz FAMDVBKKQHTBCP-UHFFFAOYSA-N 1 2 311.351 3.807 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000160111489 521624837 /nfs/dbraw/zinc/62/48/37/521624837.db2.gz BBTLENRQBJUTQD-UKRRQHHQSA-N 1 2 302.422 3.563 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000160111489 521624842 /nfs/dbraw/zinc/62/48/42/521624842.db2.gz BBTLENRQBJUTQD-UKRRQHHQSA-N 1 2 302.422 3.563 20 70 DHIDLO CC[C@@H]1C[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CCO1 ZINC000160758574 523459793 /nfs/dbraw/zinc/45/97/93/523459793.db2.gz BIUODGBARUWHIS-OAHLLOKOSA-N 1 2 320.820 3.914 20 70 DHIDLO CC[C@@H]1C[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CCO1 ZINC000160758574 523459800 /nfs/dbraw/zinc/45/98/00/523459800.db2.gz BIUODGBARUWHIS-OAHLLOKOSA-N 1 2 320.820 3.914 20 70 DHIDLO COc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000161373641 524026196 /nfs/dbraw/zinc/02/61/96/524026196.db2.gz YVLSIYBFUSJTEU-CQSZACIVSA-N 1 2 305.809 3.799 20 70 DHIDLO C[C@H](CCC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000160435579 524118272 /nfs/dbraw/zinc/11/82/72/524118272.db2.gz HITBUSFMSXCIRF-MRXNPFEDSA-N 1 2 311.429 3.584 20 70 DHIDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1Cl ZINC000159632987 525494642 /nfs/dbraw/zinc/49/46/42/525494642.db2.gz DVHFOMWGSGBHQA-LBPRGKRZSA-N 1 2 304.825 3.509 20 70 DHIDLO CC(C)c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160282809 519842016 /nfs/dbraw/zinc/84/20/16/519842016.db2.gz HGRGCCDSEZKQHL-KRWDZBQOSA-N 1 2 324.428 3.605 20 70 DHIDLO Cc1cccc2nc(C[NH2+][C@H](C)c3cccnc3Cl)cn21 ZINC000160305502 524988355 /nfs/dbraw/zinc/98/83/55/524988355.db2.gz XZZWAFPUFVCYTN-GFCCVEGCSA-N 1 2 300.793 3.542 20 70 DHIDLO Cc1n[nH]c(C)c1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000160665720 526493972 /nfs/dbraw/zinc/49/39/72/526493972.db2.gz QCGLPXKMKFRWSK-UHFFFAOYSA-N 1 2 301.415 3.883 20 70 DHIDLO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000160665720 526493976 /nfs/dbraw/zinc/49/39/76/526493976.db2.gz QCGLPXKMKFRWSK-UHFFFAOYSA-N 1 2 301.415 3.883 20 70 DHIDLO Cc1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000160602003 334877351 /nfs/dbraw/zinc/87/73/51/334877351.db2.gz RTRLEUVXXSVELI-VQIMIIECSA-N 1 2 323.440 3.996 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000161182902 521394386 /nfs/dbraw/zinc/39/43/86/521394386.db2.gz BHIQZFNCXLOSOO-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000161182902 521394396 /nfs/dbraw/zinc/39/43/96/521394396.db2.gz BHIQZFNCXLOSOO-INIZCTEOSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000161161714 521396092 /nfs/dbraw/zinc/39/60/92/521396092.db2.gz ZYTBVHATJXYGQC-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000161161714 521396102 /nfs/dbraw/zinc/39/61/02/521396102.db2.gz ZYTBVHATJXYGQC-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[C@H](c1nnc(SCCn2cc[nH+]c2)o1)c1ccccc1 ZINC000160129142 522978919 /nfs/dbraw/zinc/97/89/19/522978919.db2.gz PVEDRWKOELXSMD-AWEZNQCLSA-N 1 2 314.414 3.600 20 70 DHIDLO c1ccc([C@H]2C[C@H](Nc3cc(NCC4CC4)[nH+]cn3)CCO2)cc1 ZINC000160625593 526498631 /nfs/dbraw/zinc/49/86/31/526498631.db2.gz QNLKGFFCIQRVQJ-IAGOWNOFSA-N 1 2 324.428 3.631 20 70 DHIDLO c1ccc([C@H]2C[C@H](Nc3cc(NCC4CC4)nc[nH+]3)CCO2)cc1 ZINC000160625593 526498635 /nfs/dbraw/zinc/49/86/35/526498635.db2.gz QNLKGFFCIQRVQJ-IAGOWNOFSA-N 1 2 324.428 3.631 20 70 DHIDLO Cc1ccc(Nc2nnc(SCCn3cc[nH+]c3)s2)cc1 ZINC000159370067 332079851 /nfs/dbraw/zinc/07/98/51/332079851.db2.gz RVHJHZOWPNKDLO-UHFFFAOYSA-N 1 2 317.443 3.579 20 70 DHIDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1nccs1 ZINC000161117283 333815022 /nfs/dbraw/zinc/81/50/22/333815022.db2.gz RTIFOHYNIBJMGN-JQWIXIFHSA-N 1 2 323.849 3.864 20 70 DHIDLO CC1(C)CCC[C@H](CC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000161433860 337584646 /nfs/dbraw/zinc/58/46/46/337584646.db2.gz GPLXSUCEPIGZHI-OAHLLOKOSA-N 1 2 313.445 3.600 20 70 DHIDLO CCCc1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000160647664 521462302 /nfs/dbraw/zinc/46/23/02/521462302.db2.gz CWZBLYKYQRMHBN-MRXNPFEDSA-N 1 2 302.443 3.669 20 70 DHIDLO CCCc1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000160647664 521462316 /nfs/dbraw/zinc/46/23/16/521462316.db2.gz CWZBLYKYQRMHBN-MRXNPFEDSA-N 1 2 302.443 3.669 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000160102485 521626004 /nfs/dbraw/zinc/62/60/04/521626004.db2.gz JQNDVKWXRXMJAA-CZUORRHYSA-N 1 2 316.449 3.871 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000160102485 521626007 /nfs/dbraw/zinc/62/60/07/521626007.db2.gz JQNDVKWXRXMJAA-CZUORRHYSA-N 1 2 316.449 3.871 20 70 DHIDLO CC[C@@H](C)Oc1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161099387 522267543 /nfs/dbraw/zinc/26/75/43/522267543.db2.gz LLTWZDLZAHOERN-IUDNXUCKSA-N 1 2 304.434 3.723 20 70 DHIDLO C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000161218545 524256175 /nfs/dbraw/zinc/25/61/75/524256175.db2.gz JRSNMPREXKOMFF-UONOGXRCSA-N 1 2 312.417 3.597 20 70 DHIDLO C[C@H](c1ccsc1)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000160517430 526162612 /nfs/dbraw/zinc/16/26/12/526162612.db2.gz CKIXYTISRWVNKW-HUUCEWRRSA-N 1 2 301.459 3.583 20 70 DHIDLO C[C@H](c1ccsc1)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000160517176 526162826 /nfs/dbraw/zinc/16/28/26/526162826.db2.gz CKIXYTISRWVNKW-CABCVRRESA-N 1 2 301.459 3.583 20 70 DHIDLO CC(C)c1nc(NC[C@](C)(O)c2ccccc2Cl)cc[nH+]1 ZINC000160169219 334868661 /nfs/dbraw/zinc/86/86/61/334868661.db2.gz GWSISIJNYAOWEK-INIZCTEOSA-N 1 2 305.809 3.573 20 70 DHIDLO CCc1nnc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)[nH]1 ZINC000160497469 522356109 /nfs/dbraw/zinc/35/61/09/522356109.db2.gz JNQDITHWIDEXBI-KRWDZBQOSA-N 1 2 302.397 3.527 20 70 DHIDLO Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)ccc2n1 ZINC000161143313 526224675 /nfs/dbraw/zinc/22/46/75/526224675.db2.gz CWEYAWJRGZVTJW-QGZVFWFLSA-N 1 2 320.396 3.634 20 70 DHIDLO C[C@H](c1c(F)cccc1F)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161219563 337571330 /nfs/dbraw/zinc/57/13/30/337571330.db2.gz UGETXVZNVODZIZ-OTYXRUKQSA-N 1 2 323.305 3.661 20 70 DHIDLO CC1(C)CCC[C@@H](CC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000161434006 337584651 /nfs/dbraw/zinc/58/46/51/337584651.db2.gz GPLXSUCEPIGZHI-HNNXBMFYSA-N 1 2 313.445 3.600 20 70 DHIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000160924316 519786481 /nfs/dbraw/zinc/78/64/81/519786481.db2.gz BTIVFDNCHAADHN-ZDUSSCGKSA-N 1 2 317.882 3.546 20 70 DHIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000160924316 519786482 /nfs/dbraw/zinc/78/64/82/519786482.db2.gz BTIVFDNCHAADHN-ZDUSSCGKSA-N 1 2 317.882 3.546 20 70 DHIDLO CCCc1csc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000160647560 521462538 /nfs/dbraw/zinc/46/25/38/521462538.db2.gz CWZBLYKYQRMHBN-INIZCTEOSA-N 1 2 302.443 3.669 20 70 DHIDLO CCCc1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000160647560 521462548 /nfs/dbraw/zinc/46/25/48/521462548.db2.gz CWZBLYKYQRMHBN-INIZCTEOSA-N 1 2 302.443 3.669 20 70 DHIDLO CCc1nnc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)[nH]1 ZINC000160462666 522348427 /nfs/dbraw/zinc/34/84/27/522348427.db2.gz WKAIYCGKMUKUQL-KRWDZBQOSA-N 1 2 324.403 3.580 20 70 DHIDLO C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000161218231 524471514 /nfs/dbraw/zinc/47/15/14/524471514.db2.gz JRSNMPREXKOMFF-KGLIPLIRSA-N 1 2 312.417 3.597 20 70 DHIDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1Cl ZINC000159633117 525566273 /nfs/dbraw/zinc/56/62/73/525566273.db2.gz DVHFOMWGSGBHQA-GFCCVEGCSA-N 1 2 304.825 3.509 20 70 DHIDLO Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)ccc2n1 ZINC000161143439 526225584 /nfs/dbraw/zinc/22/55/84/526225584.db2.gz CWEYAWJRGZVTJW-KRWDZBQOSA-N 1 2 320.396 3.634 20 70 DHIDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1F)c1nccs1 ZINC000161139672 333818972 /nfs/dbraw/zinc/81/89/72/333818972.db2.gz BWQBYIXKHCPRDR-YPMHNXCESA-N 1 2 321.421 3.659 20 70 DHIDLO CC(C)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160282672 519842049 /nfs/dbraw/zinc/84/20/49/519842049.db2.gz HGRGCCDSEZKQHL-QGZVFWFLSA-N 1 2 324.428 3.605 20 70 DHIDLO CCC[N@H+](CCCc1nc(-c2ccccc2)no1)CC(F)F ZINC000159916668 521654823 /nfs/dbraw/zinc/65/48/23/521654823.db2.gz RAMRERFORHQSHB-UHFFFAOYSA-N 1 2 309.360 3.646 20 70 DHIDLO CCC[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(F)F ZINC000159916668 521654827 /nfs/dbraw/zinc/65/48/27/521654827.db2.gz RAMRERFORHQSHB-UHFFFAOYSA-N 1 2 309.360 3.646 20 70 DHIDLO CCn1nccc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000160658268 523726228 /nfs/dbraw/zinc/72/62/28/523726228.db2.gz DYSQPXNRVFMQRK-UHFFFAOYSA-N 1 2 301.415 3.760 20 70 DHIDLO CCn1nccc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000160658268 523726238 /nfs/dbraw/zinc/72/62/38/523726238.db2.gz DYSQPXNRVFMQRK-UHFFFAOYSA-N 1 2 301.415 3.760 20 70 DHIDLO C[C@@H](CCC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000160435469 524441883 /nfs/dbraw/zinc/44/18/83/524441883.db2.gz HITBUSFMSXCIRF-INIZCTEOSA-N 1 2 311.429 3.584 20 70 DHIDLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nc(-c2cccc(F)c2)no1 ZINC000160028599 332747949 /nfs/dbraw/zinc/74/79/49/332747949.db2.gz GMCDTXOTCKIDRR-NWDGAFQWSA-N 1 2 312.348 3.683 20 70 DHIDLO CC(C)c1ccc(-c2nnc(SCCn3cc[nH+]c3)o2)cc1 ZINC000160125574 519833926 /nfs/dbraw/zinc/83/39/26/519833926.db2.gz PJFBBFAMMMQSNU-UHFFFAOYSA-N 1 2 314.414 3.849 20 70 DHIDLO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cn1 ZINC000160702362 523371836 /nfs/dbraw/zinc/37/18/36/523371836.db2.gz WHEHZWJGUAPIBS-HNNXBMFYSA-N 1 2 312.442 3.850 20 70 DHIDLO CCn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cn1 ZINC000160702362 523371841 /nfs/dbraw/zinc/37/18/41/523371841.db2.gz WHEHZWJGUAPIBS-HNNXBMFYSA-N 1 2 312.442 3.850 20 70 DHIDLO C[C@H](c1ccccn1)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000160517298 526125011 /nfs/dbraw/zinc/12/50/11/526125011.db2.gz CKIXYTISRWVNKW-LSDHHAIUSA-N 1 2 301.459 3.583 20 70 DHIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160470860 527166939 /nfs/dbraw/zinc/16/69/39/527166939.db2.gz JGWXCZRKEPPOFX-GOEBONIOSA-N 1 2 313.445 3.677 20 70 DHIDLO O=C(N[C@H]1CCCc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000160465916 332803632 /nfs/dbraw/zinc/80/36/32/332803632.db2.gz FVRWYMSQUHXTDJ-INIZCTEOSA-N 1 2 323.421 3.741 20 70 DHIDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1F)c1nccs1 ZINC000161139429 333818977 /nfs/dbraw/zinc/81/89/77/333818977.db2.gz BWQBYIXKHCPRDR-AAEUAGOBSA-N 1 2 321.421 3.659 20 70 DHIDLO CC(C)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000160658653 338561261 /nfs/dbraw/zinc/56/12/61/338561261.db2.gz PYVYNMBXILYVSM-UHFFFAOYSA-N 1 2 306.369 3.643 20 70 DHIDLO CC(=O)NC1CCC([NH2+]c2ccc(N(C)C(C)C)c(F)c2)CC1 ZINC000161095623 519646057 /nfs/dbraw/zinc/64/60/57/519646057.db2.gz AASNIXAVHXIVIA-UHFFFAOYSA-N 1 2 321.440 3.530 20 70 DHIDLO CCn1cc(C[N@H+](Cc2ccco2)Cc2cccs2)cn1 ZINC000160654111 523370045 /nfs/dbraw/zinc/37/00/45/523370045.db2.gz AGAUGRSYKRLRJV-UHFFFAOYSA-N 1 2 301.415 3.760 20 70 DHIDLO CCn1cc(C[N@@H+](Cc2ccco2)Cc2cccs2)cn1 ZINC000160654111 523370054 /nfs/dbraw/zinc/37/00/54/523370054.db2.gz AGAUGRSYKRLRJV-UHFFFAOYSA-N 1 2 301.415 3.760 20 70 DHIDLO COc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000161373740 524027058 /nfs/dbraw/zinc/02/70/58/524027058.db2.gz YVLSIYBFUSJTEU-AWEZNQCLSA-N 1 2 305.809 3.799 20 70 DHIDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccccn3)n2)c1 ZINC000160046038 525739237 /nfs/dbraw/zinc/73/92/37/525739237.db2.gz LVQXYVCNGQQQSX-QWHCGFSZSA-N 1 2 324.384 3.552 20 70 DHIDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccccn3)n2)c1 ZINC000160046148 525739694 /nfs/dbraw/zinc/73/96/94/525739694.db2.gz LVQXYVCNGQQQSX-CHWSQXEVSA-N 1 2 324.384 3.552 20 70 DHIDLO C[C@@H](c1ccsc1)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000160517081 526156293 /nfs/dbraw/zinc/15/62/93/526156293.db2.gz CKIXYTISRWVNKW-GJZGRUSLSA-N 1 2 301.459 3.583 20 70 DHIDLO O=C(N[C@@H]1CCCc2sccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000160466328 332803637 /nfs/dbraw/zinc/80/36/37/332803637.db2.gz KNSAFDGCRIFIDK-MRXNPFEDSA-N 1 2 323.421 3.741 20 70 DHIDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccccn3)n2)c1 ZINC000160045911 525741476 /nfs/dbraw/zinc/74/14/76/525741476.db2.gz LVQXYVCNGQQQSX-OLZOCXBDSA-N 1 2 324.384 3.552 20 70 DHIDLO Cc1[nH+]c(-c2ccncc2)nc(N[C@H]2CCOC(C)(C)C2)c1C ZINC000160580979 526617703 /nfs/dbraw/zinc/61/77/03/526617703.db2.gz UCBLKOZEFQNBJJ-HNNXBMFYSA-N 1 2 312.417 3.525 20 70 DHIDLO OCc1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)o1 ZINC000160658994 527631595 /nfs/dbraw/zinc/63/15/95/527631595.db2.gz LVZBVCMEKONCKH-UHFFFAOYSA-N 1 2 303.383 3.629 20 70 DHIDLO OCc1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)o1 ZINC000160658994 527631600 /nfs/dbraw/zinc/63/16/00/527631600.db2.gz LVZBVCMEKONCKH-UHFFFAOYSA-N 1 2 303.383 3.629 20 70 DHIDLO CCn1cc[nH+]c1CN(Cc1ccco1)Cc1cccs1 ZINC000160706934 333480351 /nfs/dbraw/zinc/48/03/51/333480351.db2.gz SMWVZIYFCBZXKZ-UHFFFAOYSA-N 1 2 301.415 3.760 20 70 DHIDLO Cc1nc(C2([NH2+]Cc3ccc(OC(F)F)cc3)CCCC2)no1 ZINC000161368378 337582688 /nfs/dbraw/zinc/58/26/88/337582688.db2.gz UKCQSUBIHMOCNA-UHFFFAOYSA-N 1 2 323.343 3.539 20 70 DHIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000161196472 521395652 /nfs/dbraw/zinc/39/56/52/521395652.db2.gz QUUUUFVORVICOH-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000161196472 521395656 /nfs/dbraw/zinc/39/56/56/521395656.db2.gz QUUUUFVORVICOH-MRXNPFEDSA-N 1 2 311.429 3.548 20 70 DHIDLO CCN(Cc1c[nH+]c2ccccn12)Cc1c(F)cccc1F ZINC000159509069 521434988 /nfs/dbraw/zinc/43/49/88/521434988.db2.gz BAFUADGYKUIZAR-UHFFFAOYSA-N 1 2 301.340 3.635 20 70 DHIDLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(CC)[nH]1 ZINC000160488603 521575247 /nfs/dbraw/zinc/57/52/47/521575247.db2.gz RDHDXQAAOOVEJC-OAHLLOKOSA-N 1 2 316.449 3.643 20 70 DHIDLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000159684930 521624767 /nfs/dbraw/zinc/62/47/67/521624767.db2.gz NHKGWUPKVVDQJQ-SUMWQHHRSA-N 1 2 316.424 3.719 20 70 DHIDLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000159684930 521624773 /nfs/dbraw/zinc/62/47/73/521624773.db2.gz NHKGWUPKVVDQJQ-SUMWQHHRSA-N 1 2 316.424 3.719 20 70 DHIDLO CC[C@H]1C[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CCO1 ZINC000160758691 523295699 /nfs/dbraw/zinc/29/56/99/523295699.db2.gz BIUODGBARUWHIS-HNNXBMFYSA-N 1 2 320.820 3.914 20 70 DHIDLO CC[C@H]1C[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CCO1 ZINC000160758691 523295710 /nfs/dbraw/zinc/29/57/10/523295710.db2.gz BIUODGBARUWHIS-HNNXBMFYSA-N 1 2 320.820 3.914 20 70 DHIDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000160920387 524805959 /nfs/dbraw/zinc/80/59/59/524805959.db2.gz JEUPMFGEDPFCGH-UHFFFAOYSA-N 1 2 314.404 3.821 20 70 DHIDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000160920387 524805967 /nfs/dbraw/zinc/80/59/67/524805967.db2.gz JEUPMFGEDPFCGH-UHFFFAOYSA-N 1 2 314.404 3.821 20 70 DHIDLO