smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899747 721523998 /nfs/dbraw/zinc/52/39/98/721523998.db2.gz MCZGAEJZCUEXCP-JSGCOSHPSA-N 0 1 427.263 3.778 20 5 IHBDMN O=[N+]([O-])c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2[nH]ccc21 ZINC001164907348 721715972 /nfs/dbraw/zinc/71/59/72/721715972.db2.gz RCHLFDINKDKJPQ-FQEVSTJZSA-N 0 1 428.443 3.604 20 5 IHBDMN Cc1ccc(-c2nc3sccc3c(N3CCN(C[C@@H]4CCCO4)CC3)n2)cc1[N+](=O)[O-] ZINC001165039887 721918689 /nfs/dbraw/zinc/91/86/89/721918689.db2.gz WTXTYUHNKQWCKT-KRWDZBQOSA-N 0 1 439.541 3.876 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@H]2C ZINC001164857043 720938164 /nfs/dbraw/zinc/93/81/64/720938164.db2.gz GCLHTHIUGNVPON-LBPRGKRZSA-N 0 1 428.871 3.806 20 5 IHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907722 721530511 /nfs/dbraw/zinc/53/05/11/721530511.db2.gz OFUMGGQHINLVPJ-JSGCOSHPSA-N 0 1 427.263 3.778 20 5 IHBDMN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164960538 722053960 /nfs/dbraw/zinc/05/39/60/722053960.db2.gz RQSGFIKTXVTMBV-UHFFFAOYSA-N 0 1 447.539 3.965 20 5 IHBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994024 722204151 /nfs/dbraw/zinc/20/41/51/722204151.db2.gz CZDKVMWRZNBTFS-QFIPXVFZSA-N 0 1 428.464 3.551 20 5 IHBDMN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164743764 720592892 /nfs/dbraw/zinc/59/28/92/720592892.db2.gz QMSPVAHBWUFJHU-UHFFFAOYSA-N 0 1 426.908 3.651 20 5 IHBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1 ZINC001164887929 721395104 /nfs/dbraw/zinc/39/51/04/721395104.db2.gz IXZVGLBMGBLKRI-ATIYNZHBSA-N 0 1 431.584 3.548 20 5 IHBDMN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164896888 721526231 /nfs/dbraw/zinc/52/62/31/721526231.db2.gz CAGQQNMJOPOWJL-HOCLYGCPSA-N 0 1 442.825 3.669 20 5 IHBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1Br ZINC000734843355 1126106669 /nfs/dbraw/zinc/10/66/69/1126106669.db2.gz KYQMYVIXUWLGLH-GOEBONIOSA-N 0 1 433.224 3.981 20 5 IHBDMN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728775 720561040 /nfs/dbraw/zinc/56/10/40/720561040.db2.gz LYAKJZLNELSNOZ-UHFFFAOYSA-N 0 1 426.908 3.651 20 5 IHBDMN O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164959968 722058796 /nfs/dbraw/zinc/05/87/96/722058796.db2.gz AVXCXRAAHGIYFB-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1Br ZINC000734843357 1126106604 /nfs/dbraw/zinc/10/66/04/1126106604.db2.gz KYQMYVIXUWLGLH-ZBFHGGJFSA-N 0 1 433.224 3.981 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164862389 721005428 /nfs/dbraw/zinc/00/54/28/721005428.db2.gz SEUCDGDVLDHVHP-SNVBAGLBSA-N 0 1 447.849 3.675 20 5 IHBDMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164861684 721008673 /nfs/dbraw/zinc/00/86/73/721008673.db2.gz PGBUFAJBDLHMEU-KRWDZBQOSA-N 0 1 435.532 3.978 20 5 IHBDMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164799079 721540203 /nfs/dbraw/zinc/54/02/03/721540203.db2.gz AONHPJYNQYQMTF-AOHZBQACSA-N 0 1 433.512 3.715 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165020239 721838563 /nfs/dbraw/zinc/83/85/63/721838563.db2.gz GLUSWJXKYDCUKA-UHFFFAOYSA-N 0 1 437.500 3.656 20 5 IHBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994023 722204326 /nfs/dbraw/zinc/20/43/26/722204326.db2.gz CZDKVMWRZNBTFS-JOCHJYFZSA-N 0 1 428.464 3.551 20 5 IHBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1Br ZINC000734843356 1126106585 /nfs/dbraw/zinc/10/65/85/1126106585.db2.gz KYQMYVIXUWLGLH-HOCLYGCPSA-N 0 1 433.224 3.981 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164858712 720944856 /nfs/dbraw/zinc/94/48/56/720944856.db2.gz KLPJKEQDSBLREW-CYBMUJFWSA-N 0 1 429.912 3.809 20 5 IHBDMN O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc21 ZINC001164962226 722055422 /nfs/dbraw/zinc/05/54/22/722055422.db2.gz BQLWPTJUNLOWII-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@H]2C ZINC001164858286 720924377 /nfs/dbraw/zinc/92/43/77/720924377.db2.gz MOXMNCHJLNQECH-LBPRGKRZSA-N 0 1 428.871 3.806 20 5 IHBDMN Cc1ccc(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164862720 720985168 /nfs/dbraw/zinc/98/51/68/720985168.db2.gz UDJBBAFTZPCPDB-QGZVFWFLSA-N 0 1 435.532 3.978 20 5 IHBDMN Cc1ccc(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164862718 720985270 /nfs/dbraw/zinc/98/52/70/720985270.db2.gz UDJBBAFTZPCPDB-KRWDZBQOSA-N 0 1 435.532 3.978 20 5 IHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907720 721530247 /nfs/dbraw/zinc/53/02/47/721530247.db2.gz OFUMGGQHINLVPJ-GXTWGEPZSA-N 0 1 427.263 3.778 20 5 IHBDMN O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc21 ZINC001164964721 722055765 /nfs/dbraw/zinc/05/57/65/722055765.db2.gz XFEDLSWJRQONCZ-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001165020231 721842151 /nfs/dbraw/zinc/84/21/51/721842151.db2.gz AFWNKOAWZKPBQI-UHFFFAOYSA-N 0 1 425.489 3.589 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC001165022778 721844484 /nfs/dbraw/zinc/84/44/84/721844484.db2.gz UJGKPYMMPJIBGR-UHFFFAOYSA-N 0 1 444.532 3.895 20 5 IHBDMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC3)C2)cc1 ZINC001164944241 721933248 /nfs/dbraw/zinc/93/32/48/721933248.db2.gz RRPQYKCWQYJWOE-UHFFFAOYSA-N 0 1 433.512 3.718 20 5 IHBDMN CCOC(=O)c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164995716 722212234 /nfs/dbraw/zinc/21/22/34/722212234.db2.gz KDIJCQYRCUSYPF-JOCHJYFZSA-N 0 1 428.464 3.551 20 5 IHBDMN COc1ccc(C[C@@](C)(CO)NCc2cc(Br)c([N+](=O)[O-])s2)cc1OC ZINC001308932236 1126168768 /nfs/dbraw/zinc/16/87/68/1126168768.db2.gz GGKBGCQZLAPTDX-KRWDZBQOSA-N 0 1 445.335 3.519 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@@H]2C ZINC001164859797 720943065 /nfs/dbraw/zinc/94/30/65/720943065.db2.gz NORRAPIMVNNTTN-CYBMUJFWSA-N 0 1 429.912 3.809 20 5 IHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907724 721531364 /nfs/dbraw/zinc/53/13/64/721531364.db2.gz OFUMGGQHINLVPJ-OCCSQVGLSA-N 0 1 427.263 3.778 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165031090 721844813 /nfs/dbraw/zinc/84/48/13/721844813.db2.gz REBNTHHJPGMZET-UHFFFAOYSA-N 0 1 437.500 3.656 20 5 IHBDMN CCOC(=O)c1ccnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164691322 719815623 /nfs/dbraw/zinc/81/56/23/719815623.db2.gz FZHOGAGHNCRWMN-UHFFFAOYSA-N 0 1 445.545 3.566 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@@H]2C ZINC001164863214 720945863 /nfs/dbraw/zinc/94/58/63/720945863.db2.gz YVVPICSHABVVCM-GFCCVEGCSA-N 0 1 428.871 3.806 20 5 IHBDMN O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164900686 721512389 /nfs/dbraw/zinc/51/23/89/721512389.db2.gz SZGZGCUIFBCHCE-GOEBONIOSA-N 0 1 442.825 3.669 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165021430 721838865 /nfs/dbraw/zinc/83/88/65/721838865.db2.gz MUNMDOWJFMGPRJ-UHFFFAOYSA-N 0 1 437.500 3.656 20 5 IHBDMN CCOc1nc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)ccc1[N+](=O)[O-] ZINC001165020438 721842623 /nfs/dbraw/zinc/84/26/23/721842623.db2.gz DOELZVUPOJXVQL-UHFFFAOYSA-N 0 1 430.505 3.507 20 5 IHBDMN Cc1ccc(CN2CCOC3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC3)C2)cc1 ZINC001164939785 721922080 /nfs/dbraw/zinc/92/20/80/721922080.db2.gz NBHUIELRJNPAOW-UHFFFAOYSA-N 0 1 433.512 3.718 20 5 IHBDMN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1Br ZINC000734843353 1126106645 /nfs/dbraw/zinc/10/66/45/1126106645.db2.gz KYQMYVIXUWLGLH-GDBMZVCRSA-N 0 1 433.224 3.981 20 5 IHBDMN O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164896293 721521896 /nfs/dbraw/zinc/52/18/96/721521896.db2.gz AVQZNIJZTWPGFX-UKRRQHHQSA-N 0 1 442.825 3.669 20 5 IHBDMN O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cnc2c1 ZINC001164907077 721693251 /nfs/dbraw/zinc/69/32/51/721693251.db2.gz QXSBIHOXFRCXKH-NRFANRHFSA-N 0 1 440.454 3.671 20 5 IHBDMN O=[N+]([O-])c1cc(F)c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC001473641106 1126198207 /nfs/dbraw/zinc/19/82/07/1126198207.db2.gz FRSANBNZYYADIZ-GOSISDBHSA-N 0 1 427.245 3.645 20 5 IHBDMN O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164900688 721512564 /nfs/dbraw/zinc/51/25/64/721512564.db2.gz SZGZGCUIFBCHCE-ZBFHGGJFSA-N 0 1 442.825 3.669 20 5 IHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899748 721523490 /nfs/dbraw/zinc/52/34/90/721523490.db2.gz MCZGAEJZCUEXCP-OCCSQVGLSA-N 0 1 427.263 3.778 20 5 IHBDMN O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cnc2c1 ZINC001164907078 721692538 /nfs/dbraw/zinc/69/25/38/721692538.db2.gz QXSBIHOXFRCXKH-OAQYLSRUSA-N 0 1 440.454 3.671 20 5 IHBDMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC3)C2)cc1 ZINC001164940898 721925342 /nfs/dbraw/zinc/92/53/42/721925342.db2.gz WABHAFFMXKVWAL-UHFFFAOYSA-N 0 1 433.512 3.718 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@H]2C ZINC001164863216 720946617 /nfs/dbraw/zinc/94/66/17/720946617.db2.gz YVVPICSHABVVCM-LBPRGKRZSA-N 0 1 428.871 3.806 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164862385 721004429 /nfs/dbraw/zinc/00/44/29/721004429.db2.gz SEUCDGDVLDHVHP-JTQLQIEISA-N 0 1 447.849 3.675 20 5 IHBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1 ZINC001164887936 721395618 /nfs/dbraw/zinc/39/56/18/721395618.db2.gz IXZVGLBMGBLKRI-BKMJKUGQSA-N 0 1 431.584 3.548 20 5 IHBDMN O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164900685 721512620 /nfs/dbraw/zinc/51/26/20/721512620.db2.gz SZGZGCUIFBCHCE-GDBMZVCRSA-N 0 1 442.825 3.669 20 5 IHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907726 721531048 /nfs/dbraw/zinc/53/10/48/721531048.db2.gz OFUMGGQHINLVPJ-TZMCWYRMSA-N 0 1 427.263 3.778 20 5 IHBDMN COc1ccc(C[C@](C)(CO)NCc2cc(Br)c([N+](=O)[O-])s2)cc1OC ZINC001308932238 1126168770 /nfs/dbraw/zinc/16/87/70/1126168770.db2.gz GGKBGCQZLAPTDX-QGZVFWFLSA-N 0 1 445.335 3.519 20 5 IHBDMN O=[N+]([O-])c1cc(F)c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC001473641107 1126198159 /nfs/dbraw/zinc/19/81/59/1126198159.db2.gz FRSANBNZYYADIZ-SFHVURJKSA-N 0 1 427.245 3.645 20 5 IHBDMN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)ccc21 ZINC001164729669 720569363 /nfs/dbraw/zinc/56/93/63/720569363.db2.gz SLUVYTOYPDUDRY-UHFFFAOYSA-N 0 1 426.908 3.651 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165020215 721840498 /nfs/dbraw/zinc/84/04/98/721840498.db2.gz GCXJNXXDDSMNCC-UHFFFAOYSA-N 0 1 437.500 3.656 20 5 IHBDMN Cc1ccc(CN2CCOC3(CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC3)C2)cc1 ZINC001164940727 721931642 /nfs/dbraw/zinc/93/16/42/721931642.db2.gz YXWAARLCNNCSAW-UHFFFAOYSA-N 0 1 440.544 3.957 20 5 IHBDMN O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2ccccc21 ZINC001164964281 722055096 /nfs/dbraw/zinc/05/50/96/722055096.db2.gz UKMUTTXNRWLPCU-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1 ZINC001164887950 721395523 /nfs/dbraw/zinc/39/55/23/721395523.db2.gz IXZVGLBMGBLKRI-NVQXNPDNSA-N 0 1 431.584 3.548 20 5 IHBDMN O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164900687 721512753 /nfs/dbraw/zinc/51/27/53/721512753.db2.gz SZGZGCUIFBCHCE-HOCLYGCPSA-N 0 1 442.825 3.669 20 5 IHBDMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164799082 721539833 /nfs/dbraw/zinc/53/98/33/721539833.db2.gz AONHPJYNQYQMTF-FIXSFTCYSA-N 0 1 433.512 3.715 20 5 IHBDMN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164896886 721526445 /nfs/dbraw/zinc/52/64/45/721526445.db2.gz CAGQQNMJOPOWJL-GDBMZVCRSA-N 0 1 442.825 3.669 20 5 IHBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001165011871 721738462 /nfs/dbraw/zinc/73/84/62/721738462.db2.gz VITJPHCSOYXRHX-UHFFFAOYSA-N 0 1 437.975 3.959 20 5 IHBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960649 722057846 /nfs/dbraw/zinc/05/78/46/722057846.db2.gz FUWZQILRMSNMCT-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164858714 720943635 /nfs/dbraw/zinc/94/36/35/720943635.db2.gz KLPJKEQDSBLREW-ZDUSSCGKSA-N 0 1 429.912 3.809 20 5 IHBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1 ZINC001164887943 721395381 /nfs/dbraw/zinc/39/53/81/721395381.db2.gz IXZVGLBMGBLKRI-GJZUVCINSA-N 0 1 431.584 3.548 20 5 IHBDMN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164896889 721525919 /nfs/dbraw/zinc/52/59/19/721525919.db2.gz CAGQQNMJOPOWJL-ZBFHGGJFSA-N 0 1 442.825 3.669 20 5 IHBDMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164799085 721539887 /nfs/dbraw/zinc/53/98/87/721539887.db2.gz AONHPJYNQYQMTF-GPXNEJASSA-N 0 1 433.512 3.715 20 5 IHBDMN CC(C)Oc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164913124 721728919 /nfs/dbraw/zinc/72/89/19/721728919.db2.gz TZWNWCTZKOYFMS-OAQYLSRUSA-N 0 1 447.486 3.910 20 5 IHBDMN O=[N+]([O-])c1ccc2ncc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2c1 ZINC001164907888 721586841 /nfs/dbraw/zinc/58/68/41/721586841.db2.gz VTJQBPFDJZVWNI-NRFANRHFSA-N 0 1 440.454 3.671 20 5 IHBDMN COc1ccc(C[C@](C)(CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC001179520668 1126152680 /nfs/dbraw/zinc/15/26/80/1126152680.db2.gz MKHZYTRANTYBQW-JOCHJYFZSA-N 0 1 443.525 3.819 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@@H]2C ZINC001164858081 721021556 /nfs/dbraw/zinc/02/15/56/721021556.db2.gz FXFHVXDKZNMTMU-CYBMUJFWSA-N 0 1 429.912 3.809 20 5 IHBDMN CCOc1nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ccc1[N+](=O)[O-] ZINC001164939966 721928896 /nfs/dbraw/zinc/92/88/96/721928896.db2.gz PGWJHLOFAAXING-UHFFFAOYSA-N 0 1 426.517 3.568 20 5 IHBDMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164861695 721008941 /nfs/dbraw/zinc/00/89/41/721008941.db2.gz PGBUFAJBDLHMEU-QGZVFWFLSA-N 0 1 435.532 3.978 20 5 IHBDMN O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164966066 722062241 /nfs/dbraw/zinc/06/22/41/722062241.db2.gz NVAGMMDVFXPBOV-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN CCOC(=O)c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164995718 722212447 /nfs/dbraw/zinc/21/24/47/722212447.db2.gz KDIJCQYRCUSYPF-QFIPXVFZSA-N 0 1 428.464 3.551 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@H]2C ZINC001164858282 720924744 /nfs/dbraw/zinc/92/47/44/720924744.db2.gz MOXMNCHJLNQECH-GFCCVEGCSA-N 0 1 428.871 3.806 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@H]2C ZINC001164859804 720944893 /nfs/dbraw/zinc/94/48/93/720944893.db2.gz NORRAPIMVNNTTN-ZDUSSCGKSA-N 0 1 429.912 3.809 20 5 IHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899749 721523762 /nfs/dbraw/zinc/52/37/62/721523762.db2.gz MCZGAEJZCUEXCP-TZMCWYRMSA-N 0 1 427.263 3.778 20 5 IHBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691291 719811230 /nfs/dbraw/zinc/81/12/30/719811230.db2.gz DSOPNAPZHDBMCC-UHFFFAOYSA-N 0 1 445.545 3.566 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@@H]2C ZINC001164857042 720939798 /nfs/dbraw/zinc/93/97/98/720939798.db2.gz GCLHTHIUGNVPON-GFCCVEGCSA-N 0 1 428.871 3.806 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@H]2C ZINC001164856474 721013435 /nfs/dbraw/zinc/01/34/35/721013435.db2.gz ANWURFOQWLVQRN-HNNXBMFYSA-N 0 1 439.495 3.809 20 5 IHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899746 721523518 /nfs/dbraw/zinc/52/35/18/721523518.db2.gz MCZGAEJZCUEXCP-GXTWGEPZSA-N 0 1 427.263 3.778 20 5 IHBDMN O=[N+]([O-])c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2[nH]ccc21 ZINC001164907349 721715316 /nfs/dbraw/zinc/71/53/16/721715316.db2.gz RCHLFDINKDKJPQ-HXUWFJFHSA-N 0 1 428.443 3.604 20 5 IHBDMN COc1ccc(C[C@@](C)(CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC001179520669 1126152674 /nfs/dbraw/zinc/15/26/74/1126152674.db2.gz MKHZYTRANTYBQW-QFIPXVFZSA-N 0 1 443.525 3.819 20 5 IHBDMN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1 ZINC001164736163 720584820 /nfs/dbraw/zinc/58/48/20/720584820.db2.gz FVHJEPNTUKGBHO-UHFFFAOYSA-N 0 1 426.908 3.651 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@@H]2C ZINC001164856475 721013990 /nfs/dbraw/zinc/01/39/90/721013990.db2.gz ANWURFOQWLVQRN-OAHLLOKOSA-N 0 1 439.495 3.809 20 5 IHBDMN O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164896292 721522132 /nfs/dbraw/zinc/52/21/32/721522132.db2.gz AVQZNIJZTWPGFX-HIFRSBDPSA-N 0 1 442.825 3.669 20 5 IHBDMN Cc1ccc(CN2CCOC3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC3)C2)cc1 ZINC001164940446 721922636 /nfs/dbraw/zinc/92/26/36/721922636.db2.gz QLVNOMHZEMEYOW-UHFFFAOYSA-N 0 1 433.512 3.718 20 5 IHBDMN O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2c1 ZINC001164962324 722054783 /nfs/dbraw/zinc/05/47/83/722054783.db2.gz CXFRNRNRQZKRFM-UHFFFAOYSA-N 0 1 433.512 3.657 20 5 IHBDMN O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164896291 721522368 /nfs/dbraw/zinc/52/23/68/721522368.db2.gz AVQZNIJZTWPGFX-DZGCQCFKSA-N 0 1 442.825 3.669 20 5 IHBDMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164799087 721540075 /nfs/dbraw/zinc/54/00/75/721540075.db2.gz AONHPJYNQYQMTF-WPFOTENUSA-N 0 1 433.512 3.715 20 5 IHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@H]2C ZINC001164858082 721021947 /nfs/dbraw/zinc/02/19/47/721021947.db2.gz FXFHVXDKZNMTMU-ZDUSSCGKSA-N 0 1 429.912 3.809 20 5 IHBDMN O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164896294 721521730 /nfs/dbraw/zinc/52/17/30/721521730.db2.gz AVQZNIJZTWPGFX-ZFWWWQNUSA-N 0 1 442.825 3.669 20 5 IHBDMN CC(C)Oc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164913123 721729237 /nfs/dbraw/zinc/72/92/37/721729237.db2.gz TZWNWCTZKOYFMS-NRFANRHFSA-N 0 1 447.486 3.910 20 5 IHBDMN Cc1ccc(-c2nc3sccc3c(N3CCN(C[C@H]4CCCO4)CC3)n2)cc1[N+](=O)[O-] ZINC001165039889 721918517 /nfs/dbraw/zinc/91/85/17/721918517.db2.gz WTXTYUHNKQWCKT-QGZVFWFLSA-N 0 1 439.541 3.876 20 5 IHBDMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1 ZINC001164938902 721925005 /nfs/dbraw/zinc/92/50/05/721925005.db2.gz AKCGMGDMSOAYNV-UHFFFAOYSA-N 0 1 433.512 3.718 20 5 IHBDMN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164896887 721526076 /nfs/dbraw/zinc/52/60/76/721526076.db2.gz CAGQQNMJOPOWJL-GOEBONIOSA-N 0 1 442.825 3.669 20 5 IHBDMN O=[N+]([O-])c1ccc2ncc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2c1 ZINC001164907889 721586976 /nfs/dbraw/zinc/58/69/76/721586976.db2.gz VTJQBPFDJZVWNI-OAQYLSRUSA-N 0 1 440.454 3.671 20 5 IHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165022989 721842528 /nfs/dbraw/zinc/84/25/28/721842528.db2.gz VERMAZSBHKOIHL-UHFFFAOYSA-N 0 1 425.489 3.589 20 5 IHBDMN