smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000223265252 568543266 /nfs/dbraw/zinc/54/32/66/568543266.db2.gz NEEMCBAKRDOZJI-XZOQPEGZSA-N 1 0 419.598 4.023 40 10 HICBRO CC[NH+](CC)Cc1c(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1O ZINC000005824193 557676435 /nfs/dbraw/zinc/67/64/35/557676435.db2.gz JHARFPLXNNSUCG-KTKRTIGZSA-N 1 0 401.503 4.439 40 10 HICBRO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000019020953 558837795 /nfs/dbraw/zinc/83/77/95/558837795.db2.gz UWTJBCUNKJJXSH-IRLDBZIGSA-N 1 0 412.603 4.223 40 10 HICBRO Cc1csc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc(N(C)CCO)cc3)n2)n1 ZINC000072375418 558964001 /nfs/dbraw/zinc/96/40/01/558964001.db2.gz MAZCJTWFVQOQCZ-OAQYLSRUSA-N 1 0 423.586 4.356 40 10 HICBRO N#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309796782 569011925 /nfs/dbraw/zinc/01/19/25/569011925.db2.gz IYDQDADXJDTFLP-HSZRJFAPSA-N 1 0 411.461 4.006 40 10 HICBRO COc1ccc(C[NH2+]C2(c3ccccc3OC)CCCC2)cc1CN1CCOCC1 ZINC000012292855 558365888 /nfs/dbraw/zinc/36/58/88/558365888.db2.gz LGJUDOUVVGUVIE-UHFFFAOYSA-N 1 0 410.558 4.095 40 10 HICBRO CN(C)c1ccc(C[NH+]2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)cc1 ZINC000096155781 559099968 /nfs/dbraw/zinc/09/99/68/559099968.db2.gz XFMRGKIFJOUSDK-UHFFFAOYSA-N 1 0 412.541 4.237 40 10 HICBRO COc1ccc(C2([NH2+]Cc3ccc(OC)c(CN4CCOCC4)c3)CCCC2)cc1 ZINC000012292858 558365975 /nfs/dbraw/zinc/36/59/75/558365975.db2.gz SAJUSEVPKVVQAF-UHFFFAOYSA-N 1 0 410.558 4.095 40 10 HICBRO C[NH+]1CCN(c2ccc(CNC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000219135038 568487075 /nfs/dbraw/zinc/48/70/75/568487075.db2.gz BRORJMALJOZPBH-UHFFFAOYSA-N 1 0 413.565 4.277 40 10 HICBRO CCOC(=O)Cc1c[s+]c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n12 ZINC000005851671 557677559 /nfs/dbraw/zinc/67/75/59/557677559.db2.gz LOGHGIFUJMAWBV-WUXMJOGZSA-N 1 0 401.316 4.235 40 10 HICBRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1ccccc1 ZINC000223248795 568542572 /nfs/dbraw/zinc/54/25/72/568542572.db2.gz TVPREZSUYQOHCJ-PKTZIBPZSA-N 1 0 419.598 4.105 40 10 HICBRO Cc1csc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc(N(C)CCO)cc3)n2)n1 ZINC000072375417 558964018 /nfs/dbraw/zinc/96/40/18/558964018.db2.gz MAZCJTWFVQOQCZ-NRFANRHFSA-N 1 0 423.586 4.356 40 10 HICBRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219355923 568490466 /nfs/dbraw/zinc/49/04/66/568490466.db2.gz KNCCXHISKCQSPV-VWLOTQADSA-N 1 0 417.553 4.065 40 10 HICBRO COc1ccc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCCC4)cc3)CC2)cc1 ZINC000038851183 558818823 /nfs/dbraw/zinc/81/88/23/558818823.db2.gz RXJJCRRXXVRZQQ-UHFFFAOYSA-N 1 0 407.558 4.034 40 10 HICBRO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000019020961 558837743 /nfs/dbraw/zinc/83/77/43/558837743.db2.gz UWTJBCUNKJJXSH-RBBKRZOGSA-N 1 0 412.603 4.223 40 10 HICBRO COc1ccc(N=[N+](NN2C(=O)c3ccccc3C2=O)c2ccc(OC)cc2)cc1 ZINC000408822597 560645189 /nfs/dbraw/zinc/64/51/89/560645189.db2.gz OPMFPJAZPSBSNO-UHFFFAOYSA-N 1 0 403.418 4.038 40 10 HICBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044910631 526681620 /nfs/dbraw/zinc/68/16/20/526681620.db2.gz JYOAJILIOUJICK-JOCHJYFZSA-N 1 0 409.549 4.344 40 10 HICBRO CCc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Br)cc3)C2)cc1 ZINC000022405002 558989991 /nfs/dbraw/zinc/98/99/91/558989991.db2.gz UCSRSJAJSZYJJK-HXUWFJFHSA-N 1 0 418.380 4.182 40 10 HICBRO C[NH+]1CCN(c2ccc(CNC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000222698020 568524075 /nfs/dbraw/zinc/52/40/75/568524075.db2.gz HGEJARAQHXHABW-UHFFFAOYSA-N 1 0 418.006 4.281 40 10 HICBRO CC(C)C[NH+](CC(C)C)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000031853080 519713427 /nfs/dbraw/zinc/71/34/27/519713427.db2.gz IZJNYQUTEWTJRT-RQZCQDPDSA-N 1 0 407.561 4.368 40 10 HICBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044910634 526681741 /nfs/dbraw/zinc/68/17/41/526681741.db2.gz JYOAJILIOUJICK-QFIPXVFZSA-N 1 0 409.549 4.344 40 10 HICBRO CC(=O)Nc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000005008947 557625197 /nfs/dbraw/zinc/62/51/97/557625197.db2.gz VGOQIGILSSXAAA-UHFFFAOYSA-N 1 0 420.494 4.462 40 10 HICBRO CCN(CC)c1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000012222119 558356142 /nfs/dbraw/zinc/35/61/42/558356142.db2.gz SSQCCLLDAXWHQG-UHFFFAOYSA-N 1 0 421.545 4.366 40 10 HICBRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3c(c2)CCCN3C)cc1 ZINC000036740175 558801704 /nfs/dbraw/zinc/80/17/04/558801704.db2.gz HIVIMKUGXUZRJO-UHFFFAOYSA-N 1 0 404.558 4.367 40 10 HICBRO C[NH+](C)Cc1cc([C@H]2C[C@@H](NC(=O)c3ccccc3)[C@@H]3CCCC[C@H]3O2)ccc1O ZINC000257210987 568779416 /nfs/dbraw/zinc/77/94/16/568779416.db2.gz BWZCEGMPTQYZCN-XWVZOOPGSA-N 1 0 408.542 4.273 40 10 HICBRO CCN1CCCc2cc(C[NH+]3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019527295 558908275 /nfs/dbraw/zinc/90/82/75/558908275.db2.gz YLPFHLPSSVNCMN-UHFFFAOYSA-N 1 0 409.549 4.226 40 10 HICBRO COc1cccc(-n2c(C)cc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)c2C)c1 ZINC000013991935 560831440 /nfs/dbraw/zinc/83/14/40/560831440.db2.gz IJETYEGKNTUBCO-SFHVURJKSA-N 1 0 422.525 4.214 40 10 HICBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000223265149 568543277 /nfs/dbraw/zinc/54/32/77/568543277.db2.gz NEEMCBAKRDOZJI-DHIUTWEWSA-N 1 0 419.598 4.023 40 10 HICBRO CCOC(=O)Cc1c[s+]c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n12 ZINC000001636015 557277816 /nfs/dbraw/zinc/27/78/16/557277816.db2.gz LOGHGIFUJMAWBV-SDQBBNPISA-N 1 0 401.316 4.235 40 10 HICBRO O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2[s+]cc(-c3cccc([N+](=O)[O-])c3)n12 ZINC000005851876 557677486 /nfs/dbraw/zinc/67/74/86/557677486.db2.gz KIBQVFDITSJBHJ-PXNMLYILSA-N 1 0 412.428 4.306 40 10 HICBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 ZINC000225777201 568673768 /nfs/dbraw/zinc/67/37/68/568673768.db2.gz VUBLUDHYHKMGQO-UHFFFAOYSA-N 1 0 424.614 4.246 40 10 HICBRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1ccccc1 ZINC000223248745 568542637 /nfs/dbraw/zinc/54/26/37/568542637.db2.gz TVPREZSUYQOHCJ-DHIUTWEWSA-N 1 0 419.598 4.105 40 10 HICBRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3c(c2)CC[C@H](C)N3C)CC1 ZINC000019497224 558896135 /nfs/dbraw/zinc/89/61/35/558896135.db2.gz BEPFDYGEPVSXGF-SFHVURJKSA-N 1 0 409.549 4.224 40 10 HICBRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3c(c2)CC[C@@H](C)N3C)CC1 ZINC000019497223 558896139 /nfs/dbraw/zinc/89/61/39/558896139.db2.gz BEPFDYGEPVSXGF-GOSISDBHSA-N 1 0 409.549 4.224 40 10 HICBRO COc1cccc(-n2c(C)cc(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2C)c1 ZINC000013991932 560831479 /nfs/dbraw/zinc/83/14/79/560831479.db2.gz IJETYEGKNTUBCO-GOSISDBHSA-N 1 0 422.525 4.214 40 10 HICBRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219346412 568490329 /nfs/dbraw/zinc/49/03/29/568490329.db2.gz QMTQGOBRAFWCHT-XMMPIXPASA-N 1 0 417.553 4.065 40 10 HICBRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000222943132 568531879 /nfs/dbraw/zinc/53/18/79/568531879.db2.gz WWGAZWCHUMYRIR-DEOSSOPVSA-N 1 0 423.601 4.210 40 10 HICBRO N#[N+]CC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096327369 569279514 /nfs/dbraw/zinc/27/95/14/569279514.db2.gz IYDQDADXJDTFLP-QHCPKHFHSA-N 1 0 411.461 4.006 40 10 HICBRO COc1ccccc1C=c1sc2[s+]cc(CC(=O)Nc3ccccc3)n2c1=O ZINC000001636011 557277737 /nfs/dbraw/zinc/27/77/37/557277737.db2.gz LRADDFJRTSOYJF-WOJGMQOQSA-O 1 0 409.512 4.012 40 10 HICBRO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000019020956 558837798 /nfs/dbraw/zinc/83/77/98/558837798.db2.gz UWTJBCUNKJJXSH-IFMALSPDSA-N 1 0 412.603 4.223 40 10 HICBRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217029091 568470406 /nfs/dbraw/zinc/47/04/06/568470406.db2.gz WHHDUDFWGMFQCM-NRFANRHFSA-N 1 0 418.006 4.279 40 10 HICBRO CCOCc1cc(C[NH2+][C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)ccc1OC ZINC000019531198 558911926 /nfs/dbraw/zinc/91/19/26/558911926.db2.gz OTKORBCTSMJYQU-NFBKMPQASA-N 1 0 416.587 4.443 40 10 HICBRO CC(NC1CC(C)(C)[NH2+]C(C)(C)C1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000103916513 560734907 /nfs/dbraw/zinc/73/49/07/560734907.db2.gz ROGOVSLYCZRKGG-AQTBWJFISA-N 1 0 411.575 4.192 40 10 HICBRO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccccc2O)CC[C@@]1(C)O ZINC000604383331 568489621 /nfs/dbraw/zinc/48/96/21/568489621.db2.gz WKROZAUXIOEREM-QNWVGRARSA-N 1 0 416.587 4.073 40 10 biogenic,in-vitro HICBRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000222943063 568531887 /nfs/dbraw/zinc/53/18/87/568531887.db2.gz WWGAZWCHUMYRIR-XMMPIXPASA-N 1 0 423.601 4.210 40 10 HICBRO COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000004821507 557603246 /nfs/dbraw/zinc/60/32/46/557603246.db2.gz KYYBSRNDYREPEQ-UHFFFAOYSA-N 1 0 413.886 4.441 40 10 HICBRO Cc1ccc(Nc2cc3c([nH][n+](=O)n3C(C)C)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000408710520 557739059 /nfs/dbraw/zinc/73/90/59/557739059.db2.gz IPKIBADRHVPGOG-UHFFFAOYSA-O 1 0 413.457 4.292 40 10 HICBRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000012328333 558383556 /nfs/dbraw/zinc/38/35/56/558383556.db2.gz UVYWWQOVQCUYRK-UHFFFAOYSA-N 1 0 413.512 4.192 40 10 HICBRO COc1ccc(N=[N+](Nn2c(C)nc3ccccc3c2=O)c2ccc(OC)cc2)cc1 ZINC000408822556 560645193 /nfs/dbraw/zinc/64/51/93/560645193.db2.gz NVULYDSWEFHHCD-UHFFFAOYSA-N 1 0 416.461 4.309 40 10 HICBRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219346506 568490355 /nfs/dbraw/zinc/49/03/55/568490355.db2.gz QMTQGOBRAFWCHT-DEOSSOPVSA-N 1 0 417.553 4.065 40 10 HICBRO Oc1c([C@H](c2ccccn2)[NH+]2CCN(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000020192749 558344794 /nfs/dbraw/zinc/34/47/94/558344794.db2.gz YGYWNPWQAYZHAS-RUZDIDTESA-N 1 0 410.521 4.243 40 10 HICBRO CC1(C)CC(N(Cc2ccc(N3CCOCC3)cc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740528 558801915 /nfs/dbraw/zinc/80/19/15/558801915.db2.gz SYSUKLGZNVWYHH-UHFFFAOYSA-N 1 0 422.617 4.230 40 10 HICBRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1ccccc1 ZINC000223248897 568542605 /nfs/dbraw/zinc/54/26/05/568542605.db2.gz TVPREZSUYQOHCJ-GOTSBHOMSA-N 1 0 419.598 4.105 40 10 HICBRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1ccccc1 ZINC000223248844 568542623 /nfs/dbraw/zinc/54/26/23/568542623.db2.gz TVPREZSUYQOHCJ-XZOQPEGZSA-N 1 0 419.598 4.105 40 10 HICBRO CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(O)c(C[NH+](C)C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257301926 568804885 /nfs/dbraw/zinc/80/48/85/568804885.db2.gz SAPBGRQWMXHNAA-DSQRQMGKSA-N 1 0 402.579 4.251 40 10 HICBRO Cc1nc2sccn2c1C[N@@H+](CCCn1ccnc1)Cc1ccc(N(C)C)cc1 ZINC000043277736 527210578 /nfs/dbraw/zinc/21/05/78/527210578.db2.gz PUJBDCOWOKTNKA-UHFFFAOYSA-N 1 0 408.575 4.059 40 10 HICBRO NC(=[NH2+])c1ccc(N=NC2=CC(=[NH+][N-]c3ccc(C(N)=[NH2+])cc3)C([O-])=CC2=O)cc1 ZINC000104232490 559159354 /nfs/dbraw/zinc/15/93/54/559159354.db2.gz NSJLPUYMJDGBGT-ZQZMJUSDSA-N 1 0 402.418 4.497 40 10 HICBRO O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044910681 526682644 /nfs/dbraw/zinc/68/26/44/526682644.db2.gz TUPROMYNXNOZLC-UHFFFAOYSA-N 1 0 409.549 4.344 40 10 HICBRO Oc1c([C@@H](c2ccccn2)[NH+]2CCN(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000020192751 558344787 /nfs/dbraw/zinc/34/47/87/558344787.db2.gz YGYWNPWQAYZHAS-VWLOTQADSA-N 1 0 410.521 4.243 40 10 HICBRO CC[NH+](CC)Cc1c(/C=C/c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1O ZINC000001630379 557277542 /nfs/dbraw/zinc/27/75/42/557277542.db2.gz JHARFPLXNNSUCG-MDZDMXLPSA-N 1 0 401.503 4.439 40 10 HICBRO Cc1cc(N2CCCC2)c(F)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012135154 558333521 /nfs/dbraw/zinc/33/35/21/558333521.db2.gz GUSAQHYZKMHMOG-KEVCNVLYSA-N 1 0 409.549 4.249 40 10 HICBRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc(N3CCCC3)c(C)c2)CC1 ZINC000012328214 558383552 /nfs/dbraw/zinc/38/35/52/558383552.db2.gz WTNOIHBPAIBJPE-UHFFFAOYSA-N 1 0 409.549 4.362 40 10 HICBRO Cc1cc(N2CCCC2)c(F)cc1C[NH+]1CCC(O)(Cn2cnc3ccccc32)CC1 ZINC000019567053 558926496 /nfs/dbraw/zinc/92/64/96/558926496.db2.gz IROSNRKTJHOYRX-UHFFFAOYSA-N 1 0 422.548 4.111 40 10 HICBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000223265312 568543289 /nfs/dbraw/zinc/54/32/89/568543289.db2.gz NEEMCBAKRDOZJI-GOTSBHOMSA-N 1 0 419.598 4.023 40 10 HICBRO O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044910684 526682386 /nfs/dbraw/zinc/68/23/86/526682386.db2.gz SNMOUGGACHIFHK-UHFFFAOYSA-N 1 0 409.549 4.344 40 10 HICBRO OCCN1CC[NH+](CC/C=C2\c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000031483558 558750760 /nfs/dbraw/zinc/75/07/60/558750760.db2.gz WFPIAZLQTJBIFN-BLLMUTORSA-N 1 0 400.975 4.236 40 10 in-man HICBRO COc1ccccc1C=c1sc2[s+]cc(CC(=O)Nc3ccccc3)n2c1=O ZINC000016958314 558810329 /nfs/dbraw/zinc/81/03/29/558810329.db2.gz LRADDFJRTSOYJF-WQRHYEAKSA-O 1 0 409.512 4.012 40 10 HICBRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000216926756 568469332 /nfs/dbraw/zinc/46/93/32/568469332.db2.gz MDXTYMYPOTVBOS-WEVVVXLNSA-N 1 0 404.341 4.075 40 10 HICBRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217029053 568470304 /nfs/dbraw/zinc/47/03/04/568470304.db2.gz WHHDUDFWGMFQCM-OAQYLSRUSA-N 1 0 418.006 4.279 40 10 HICBRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC000219008475 568485891 /nfs/dbraw/zinc/48/58/91/568485891.db2.gz ZFFBUZULKMRBQF-UHFFFAOYSA-N 1 0 413.565 4.154 40 10 HICBRO COc1cccc(-c2nc3c(s2)C[N@H+](Cc2ccc(N4CCOCC4)cc2)CC3)c1 ZINC000019719766 558258213 /nfs/dbraw/zinc/25/82/13/558258213.db2.gz PRFAMHVLYNYVDY-UHFFFAOYSA-N 1 0 421.566 4.214 40 10 HICBRO CCc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Br)cc3)C2)cc1 ZINC000022405000 558989933 /nfs/dbraw/zinc/98/99/33/558989933.db2.gz UCSRSJAJSZYJJK-FQEVSTJZSA-N 1 0 418.380 4.182 40 10 HICBRO NC(=[NH2+])c1ccc(N=NC2=CC(=[NH+][N-]c3ccc(C(N)=[NH2+])cc3)C([O-])=CC2=O)cc1 ZINC000104232485 559159348 /nfs/dbraw/zinc/15/93/48/559159348.db2.gz NSJLPUYMJDGBGT-LBXGSASVSA-N 1 0 402.418 4.497 40 10 HICBRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219355839 568490477 /nfs/dbraw/zinc/49/04/77/568490477.db2.gz KNCCXHISKCQSPV-RUZDIDTESA-N 1 0 417.553 4.065 40 10 HICBRO CC(C)C[NH+](CC(C)C)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000031853077 519713154 /nfs/dbraw/zinc/71/31/54/519713154.db2.gz IZJNYQUTEWTJRT-MFOYZWKCSA-N 1 0 407.561 4.368 40 10 HICBRO O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2[s+]cc(-c3ccc([N+](=O)[O-])cc3)n12 ZINC000005852078 557677573 /nfs/dbraw/zinc/67/75/73/557677573.db2.gz QCFNMMYBTCDKAQ-SXGWCWSVSA-N 1 0 412.428 4.306 40 10 HICBRO O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2[s+]cc(-c3ccc([N+](=O)[O-])cc3)n12 ZINC000017221936 558825945 /nfs/dbraw/zinc/82/59/45/558825945.db2.gz QCFNMMYBTCDKAQ-CXUHLZMHSA-N 1 0 412.428 4.306 40 10 HICBRO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000019020959 558837801 /nfs/dbraw/zinc/83/78/01/558837801.db2.gz UWTJBCUNKJJXSH-UNMCSNQZSA-N 1 0 412.603 4.223 40 10 HICBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000223265198 568543335 /nfs/dbraw/zinc/54/33/35/568543335.db2.gz NEEMCBAKRDOZJI-PKTZIBPZSA-N 1 0 419.598 4.023 40 10 HICBRO