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](CCn1c(=O)[nH]c2c(Cl)cccc2c1=O)n1cc[nH+]c1 ZINC000026381431 182439118 /nfs/dbraw/zinc/43/91/18/182439118.db2.gz PEGRXSYAOLMIDU-JTQLQIEISA-N 1 2 318.764 2.191 1 0 DEAFLO C[C@@H](Nc1c(Nc2cc[nH+]cc2)c(=O)c1=O)c1cccc(N)c1 ZINC000100081576 193794885 /nfs/dbraw/zinc/79/48/85/193794885.db2.gz QAQZEGFCIMHNPC-SNVBAGLBSA-N 1 2 308.341 2.177 1 0 DEAFLO CC1(C)Oc2cc[nH+]cc2[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1O ZINC000040791262 183133531 /nfs/dbraw/zinc/13/35/31/183133531.db2.gz JYNLALVXIZQBEF-GJZGRUSLSA-N 1 2 316.332 2.224 1 0 DEAFLO CC1(C)Oc2cc[nH+]cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O ZINC000040791261 183134036 /nfs/dbraw/zinc/13/40/36/183134036.db2.gz JYNLALVXIZQBEF-CABCVRRESA-N 1 2 316.332 2.224 1 0 DEAFLO O=C(c1cc2ccccn2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020323375 182207051 /nfs/dbraw/zinc/20/70/51/182207051.db2.gz PLLWTXRULATCRB-UHFFFAOYSA-N 1 2 320.396 2.292 3 0 DEAFLO CS(=O)(=O)Nc1ccc(F)c2c1CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000013580214 181864850 /nfs/dbraw/zinc/86/48/50/181864850.db2.gz VSARTHVTGRSGOA-SNVBAGLBSA-N 1 2 309.366 2.389 1 0 DEAFLO C[C@H](Nc1c(=O)c(=O)c1Nc1cc[nH+]cc1)c1nccs1 ZINC000100081545 193794493 /nfs/dbraw/zinc/79/44/93/193794493.db2.gz VEEIJXOIIPWFLM-QMMMGPOBSA-N 1 2 300.343 2.051 1 0 DEAFLO O=C1c2ccccc2S(=O)(=O)c2cc(-c3[nH]cc[nH+]3)ccc21 ZINC000029488352 190656098 /nfs/dbraw/zinc/65/60/98/190656098.db2.gz UIISLRVTGDEOLA-UHFFFAOYSA-N 1 2 310.334 2.454 1 0 DEAFLO c1[nH]cc(CCNc2ncncc2-c2ccc3c(c2)OCO3)[nH+]1 ZINC000004239482 181086747 /nfs/dbraw/zinc/08/67/47/181086747.db2.gz RODALHKTSMJXEL-UHFFFAOYSA-N 1 2 309.329 2.250 1 0 DEAFLO c1[nH]c(CCNc2ncncc2-c2ccc3c(c2)OCO3)c[nH+]1 ZINC000004239482 181086748 /nfs/dbraw/zinc/08/67/48/181086748.db2.gz RODALHKTSMJXEL-UHFFFAOYSA-N 1 2 309.329 2.250 1 0 DEAFLO OCC[C@H]1C[N@H+](Cc2ccncc2)CCN1Cc1ccsc1 ZINC000020451486 182218691 /nfs/dbraw/zinc/21/86/91/182218691.db2.gz ZASZYFDYOWOCSE-KRWDZBQOSA-N 1 2 317.458 2.212 1 0 DEAFLO OCC[C@H]1C[N@@H+](Cc2ccncc2)CCN1Cc1ccsc1 ZINC000020451486 182218693 /nfs/dbraw/zinc/21/86/93/182218693.db2.gz ZASZYFDYOWOCSE-KRWDZBQOSA-N 1 2 317.458 2.212 1 0 DEAFLO Cc1nc(N)c(CNC(=O)COc2ccc(Cl)cc2C)c[nH+]1 ZINC000169349063 325713256 /nfs/dbraw/zinc/71/32/56/325713256.db2.gz LXUJKECIIROAQJ-UHFFFAOYSA-N 1 2 320.780 2.024 1 0 DEAFLO C[C@H]1CN(c2cccc[nH+]2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000299842043 257103993 /nfs/dbraw/zinc/10/39/93/257103993.db2.gz BWENZHZNEISDNX-HNAYVOBHSA-N 1 2 322.412 2.352 1 0 DEAFLO Nc1nc2cc3c(cc2s1)CC[N@H+](Cc1cnco1)CC3 ZINC000095584203 185381717 /nfs/dbraw/zinc/38/17/17/185381717.db2.gz NMJMSKLEZGNFJH-UHFFFAOYSA-N 1 2 300.387 2.467 1 0 DEAFLO Nc1nc2cc3c(cc2s1)CC[N@@H+](Cc1cnco1)CC3 ZINC000095584203 185381718 /nfs/dbraw/zinc/38/17/18/185381718.db2.gz NMJMSKLEZGNFJH-UHFFFAOYSA-N 1 2 300.387 2.467 1 0 DEAFLO Cn1cc[nH+]c1-c1ccc(COc2ncccc2C(N)=O)cc1 ZINC000169348945 197745712 /nfs/dbraw/zinc/74/57/12/197745712.db2.gz APRPXNUMJFONHQ-UHFFFAOYSA-N 1 2 308.341 2.160 1 0 DEAFLO CCOC(=O)Nc1cc2c(c(N)[nH+]1)NC(c1ccccc1)=NN2 ZINC000026824764 182454541 /nfs/dbraw/zinc/45/45/41/182454541.db2.gz CBDVFOBTJXTFAO-UHFFFAOYSA-N 1 2 312.333 2.431 1 0 DEAFLO COc1ccccc1CNC(=O)c1ccc2c(N)[nH+]ccc2n1 ZINC000029248186 182557539 /nfs/dbraw/zinc/55/75/39/182557539.db2.gz VQNPMMULGWSEGO-UHFFFAOYSA-N 1 2 308.341 2.151 1 0 DEAFLO OC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2cc[nH+]c2)O1 ZINC000039396858 183018206 /nfs/dbraw/zinc/01/82/06/183018206.db2.gz IANAHQSGGKAAFD-HZPDHXFCSA-N 1 2 322.792 2.273 1 0 DEAFLO COc1ccc(-c2nc(C[N@@H+](C)CC(OC)OC)co2)cc1 ZINC000072180537 191072285 /nfs/dbraw/zinc/07/22/85/191072285.db2.gz WSCBOZDRKSWBPJ-UHFFFAOYSA-N 1 2 306.362 2.401 1 0 DEAFLO COc1ccc(-c2nc(C[N@H+](C)CC(OC)OC)co2)cc1 ZINC000072180537 191072288 /nfs/dbraw/zinc/07/22/88/191072288.db2.gz WSCBOZDRKSWBPJ-UHFFFAOYSA-N 1 2 306.362 2.401 1 0 DEAFLO CNC(=O)c1ccc2cc([C@](C)(O)c3c[nH+]cn3C)ccc2c1 ZINC000073196714 191290388 /nfs/dbraw/zinc/29/03/88/191290388.db2.gz CWOCSWWXAHRGJZ-SFHVURJKSA-N 1 2 309.369 2.189 1 0 DEAFLO Cc1c[nH+]c(N(C)Cc2cnc3ccccc3n2)nc1N(C)C ZINC000065463385 184349605 /nfs/dbraw/zinc/34/96/05/184349605.db2.gz WSDQKHDTZVPGQY-UHFFFAOYSA-N 1 2 308.389 2.431 1 0 DEAFLO CC(C)n1nc(-c2ccc3c(c2)OCCO3)c2c1nc[nH+]c2N ZINC000064499218 184298817 /nfs/dbraw/zinc/29/88/17/184298817.db2.gz LMVAHLFZGWUGNF-UHFFFAOYSA-N 1 2 311.345 2.428 1 0 DEAFLO Cc1ccc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)c[nH+]1 ZINC000096907539 185390809 /nfs/dbraw/zinc/39/08/09/185390809.db2.gz JRCSXGCSTOIVSA-UHFFFAOYSA-N 1 2 317.780 2.424 1 0 DEAFLO CNC(=O)c1ccc2cc([C@@](C)(O)c3c[nH+]cn3C)ccc2c1 ZINC000073196713 191290476 /nfs/dbraw/zinc/29/04/76/191290476.db2.gz CWOCSWWXAHRGJZ-GOSISDBHSA-N 1 2 309.369 2.189 1 0 DEAFLO COCC[NH+](CCOC)Cc1coc(-c2ccc(O)cc2)n1 ZINC000072179923 191071675 /nfs/dbraw/zinc/07/16/75/191071675.db2.gz FUKQJLBCOVPYBV-UHFFFAOYSA-N 1 2 306.362 2.142 1 0 DEAFLO Cc1nc(C)c(C[NH+]2CCN(C(=O)c3ccccc3)CC2)nc1C ZINC000040950645 183150684 /nfs/dbraw/zinc/15/06/84/183150684.db2.gz DXHQRMZADGUPEY-UHFFFAOYSA-N 1 2 324.428 2.360 1 0 DEAFLO COc1ccc(-c2cc(-c3cc[nH+]c(N)c3)nc(=O)[nH]2)c(OC)c1 ZINC000040979570 183154460 /nfs/dbraw/zinc/15/44/60/183154460.db2.gz UUEWATVPXXDQHN-UHFFFAOYSA-N 1 2 324.340 2.098 1 0 DEAFLO CCOC(=O)c1c(C)[nH]c(C2=CSC(NC3CC3)=[NH+]N2)c1C ZINC000003349896 181009767 /nfs/dbraw/zinc/00/97/67/181009767.db2.gz FSZXQFXLXWLIRR-UHFFFAOYSA-N 1 2 320.418 2.466 1 0 DEAFLO COC(=O)c1ccc2nc(SCCn3cc[nH+]c3)n(C)c2c1 ZINC000096924266 185391695 /nfs/dbraw/zinc/39/16/95/185391695.db2.gz MCPNSJNKAUCYTD-UHFFFAOYSA-N 1 2 316.386 2.349 1 0 DEAFLO CNc1[nH+]cccc1Nc1cc2n(C)c3ncccc3n2c(=O)c1 ZINC000073280536 191299981 /nfs/dbraw/zinc/29/99/81/191299981.db2.gz KDZTZNGSSHJYPS-UHFFFAOYSA-N 1 2 320.356 2.367 1 0 DEAFLO CCN(CC)c1[nH+]cccc1CNC(=O)[C@@H](C)n1cccn1 ZINC000020784739 182247465 /nfs/dbraw/zinc/24/74/65/182247465.db2.gz HSRKPOUGSJFDSK-CYBMUJFWSA-N 1 2 301.394 2.002 1 0 DEAFLO COc1ccccc1[C@@H](c1ccns1)N1CC[NH+](C)CC1 ZINC000028249727 182517490 /nfs/dbraw/zinc/51/74/90/182517490.db2.gz TXYKRPLJDTXRCQ-INIZCTEOSA-N 1 2 303.431 2.489 1 0 DEAFLO COc1cccc(-c2nc(C[N@@H+](C)CC(OC)OC)co2)c1 ZINC000072102810 191037180 /nfs/dbraw/zinc/03/71/80/191037180.db2.gz PJXUXGVXYKVOBC-UHFFFAOYSA-N 1 2 306.362 2.401 1 0 DEAFLO COc1cccc(-c2nc(C[N@H+](C)CC(OC)OC)co2)c1 ZINC000072102810 191037182 /nfs/dbraw/zinc/03/71/82/191037182.db2.gz PJXUXGVXYKVOBC-UHFFFAOYSA-N 1 2 306.362 2.401 1 0 DEAFLO Cc1c2c(c(C)c(C)c1N)O[C@@](C)(CN1CC[NH+](C)CC1)C2 ZINC000022934323 182341739 /nfs/dbraw/zinc/34/17/39/182341739.db2.gz DJRAXPXYCLABSD-GOSISDBHSA-N 1 2 303.450 2.135 1 0 DEAFLO O=C([O-])[C@H]1CC2(C[NH2+]1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000082097544 284450164 /nfs/dbraw/zinc/45/01/64/284450164.db2.gz PQXSSMDUXVDIBE-OAHLLOKOSA-N 1 2 311.385 2.268 1 0 DEAFLO O=C1c2cc(O)cc(Br)c2OC[C@@H]1n1cc[nH+]c1 ZINC000027406875 182470940 /nfs/dbraw/zinc/47/09/40/182470940.db2.gz ZKQLEOHBYWSTTC-JTQLQIEISA-N 1 2 309.119 2.168 1 0 DEAFLO O=C(Cn1cc[nH+]c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000082149220 192361838 /nfs/dbraw/zinc/36/18/38/192361838.db2.gz KGMJHINKQMWNES-UHFFFAOYSA-N 1 2 318.276 2.060 1 0 DEAFLO CC(C)C[C@H](CO)NC(=O)/C=C/c1c[nH+]c(N)c2ccccc12 ZINC000073310398 191303866 /nfs/dbraw/zinc/30/38/66/191303866.db2.gz QCBXPKZNRQQCPS-HSBSLETESA-N 1 2 313.401 2.353 1 0 DEAFLO CN(Cc1cccs1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000072275993 191096917 /nfs/dbraw/zinc/09/69/17/191096917.db2.gz ONJPNWJIILURHA-GFCCVEGCSA-N 1 2 304.419 2.136 1 0 DEAFLO CN(Cc1cccs1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000072275993 191096920 /nfs/dbraw/zinc/09/69/20/191096920.db2.gz ONJPNWJIILURHA-GFCCVEGCSA-N 1 2 304.419 2.136 1 0 DEAFLO COC(=O)C1CC[NH+](Cc2coc(-c3ccc(O)cc3)n2)CC1 ZINC000072182822 191072781 /nfs/dbraw/zinc/07/27/81/191072781.db2.gz LQBZXCHSMVZBQX-UHFFFAOYSA-N 1 2 316.357 2.432 1 0 DEAFLO OCC[C@@H]1C[N@H+](Cc2ccncc2)CCN1Cc1ccsc1 ZINC000020451484 182218825 /nfs/dbraw/zinc/21/88/25/182218825.db2.gz ZASZYFDYOWOCSE-QGZVFWFLSA-N 1 2 317.458 2.212 1 0 DEAFLO OCC[C@@H]1C[N@@H+](Cc2ccncc2)CCN1Cc1ccsc1 ZINC000020451484 182218827 /nfs/dbraw/zinc/21/88/27/182218827.db2.gz ZASZYFDYOWOCSE-QGZVFWFLSA-N 1 2 317.458 2.212 1 0 DEAFLO COc1cc(C(=O)c2c[nH+]c(N)nc2N)c(C(C)C)cc1OC ZINC000040951355 183150873 /nfs/dbraw/zinc/15/08/73/183150873.db2.gz PUNZBSLUOYSTIG-UHFFFAOYSA-N 1 2 316.361 2.013 1 0 DEAFLO CC(C)n1nc(-c2ccc3[nH]c(=O)ccc3c2)c2c1nc[nH+]c2N ZINC000064503754 184298631 /nfs/dbraw/zinc/29/86/31/184298631.db2.gz TVPWCFIAQIHELW-UHFFFAOYSA-N 1 2 320.356 2.498 1 0 DEAFLO C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1 ZINC000087690222 185230446 /nfs/dbraw/zinc/23/04/46/185230446.db2.gz HDJSSAZLTKENCZ-GJZGRUSLSA-N 1 2 322.474 2.352 1 0 DEAFLO C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1 ZINC000087690222 185230447 /nfs/dbraw/zinc/23/04/47/185230447.db2.gz HDJSSAZLTKENCZ-GJZGRUSLSA-N 1 2 322.474 2.352 1 0 DEAFLO Cn1c[nH+]c(/C=C/C(=O)O[C@H]2C/C=C\CC[C@@H]3C=C[C@H]2O3)c1 ZINC000169323639 197741336 /nfs/dbraw/zinc/74/13/36/197741336.db2.gz APDYRCFEGORPIQ-YIKRDQDVSA-N 1 2 300.358 2.409 1 0 DEAFLO CCN1c2ncccc2-c2nnc(C[NH+](C)C)n2-c2cccnc21 ZINC000005841671 181288109 /nfs/dbraw/zinc/28/81/09/181288109.db2.gz YHUOIAHLKZMAAV-UHFFFAOYSA-N 1 2 321.388 2.257 1 0 DEAFLO COc1cc(-c2nnc3n2CCCN3)ccc1-n1c[nH+]c(C)c1 ZINC000066100837 184389306 /nfs/dbraw/zinc/38/93/06/184389306.db2.gz HBALLDTXWZASRT-UHFFFAOYSA-N 1 2 310.361 2.263 1 0 DEAFLO Cc1noc(/C=C/[NH+](C)C)c1S(=O)(=O)NC1CCCCC1 ZINC000059852302 184141651 /nfs/dbraw/zinc/14/16/51/184141651.db2.gz SREXTSVSRFJHIF-MDZDMXLPSA-N 1 2 313.423 2.126 3 0 DEAFLO CC[NH+]1CCN(C(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000071928154 184908843 /nfs/dbraw/zinc/90/88/43/184908843.db2.gz OMUNTJOICDLSFR-UHFFFAOYSA-N 1 2 317.414 2.279 1 0 DEAFLO CCNC(=O)c1ccc2cc([C@]3(O)CCn4c[nH+]cc43)ccc2c1 ZINC000073160554 191286690 /nfs/dbraw/zinc/28/66/90/191286690.db2.gz NVALCPKQWJAPMU-LJQANCHMSA-N 1 2 321.380 2.426 1 0 DEAFLO Clc1ccc(-n2ccc(OCC[NH+]3CCOCC3)n2)cc1 ZINC000095553745 185379284 /nfs/dbraw/zinc/37/92/84/185379284.db2.gz UWTHLORRTAIPFF-UHFFFAOYSA-N 1 2 307.781 2.237 1 0 DEAFLO Cc1ccc(CN2CC[N@H+](Cc3ccncc3)C[C@@H]2CCO)o1 ZINC000020920727 182253928 /nfs/dbraw/zinc/25/39/28/182253928.db2.gz UCTXCMVBDKEYNC-KRWDZBQOSA-N 1 2 315.417 2.052 3 0 DEAFLO Cc1ccc(CN2CC[N@@H+](Cc3ccncc3)C[C@@H]2CCO)o1 ZINC000020920727 182253929 /nfs/dbraw/zinc/25/39/29/182253929.db2.gz UCTXCMVBDKEYNC-KRWDZBQOSA-N 1 2 315.417 2.052 3 0 DEAFLO O=C1O[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccn1 ZINC000023340200 182357211 /nfs/dbraw/zinc/35/72/11/182357211.db2.gz NDATWECJVPREBT-LSDHHAIUSA-N 1 2 315.398 2.348 1 0 DEAFLO O=C1O[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccn1 ZINC000023340200 182357213 /nfs/dbraw/zinc/35/72/13/182357213.db2.gz NDATWECJVPREBT-LSDHHAIUSA-N 1 2 315.398 2.348 1 0 DEAFLO O=C([O-])[C@@H]1CC2(C[NH2+]1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000082097545 284448687 /nfs/dbraw/zinc/44/86/87/284448687.db2.gz PQXSSMDUXVDIBE-HNNXBMFYSA-N 1 2 311.385 2.268 1 0 DEAFLO O=C(NCCCn1cc[nH+]c1)c1noc2c1CCc1ccccc1-2 ZINC000002465941 624104192 /nfs/dbraw/zinc/10/41/92/624104192.db2.gz OFCDNSLTFZEDEM-UHFFFAOYSA-N 1 2 322.368 2.457 3 0 DEAFLO Cc1c2c(c(C)c(C)c1N)O[C@](C)(CN1CC[NH+](C)CC1)C2 ZINC000022934330 182342293 /nfs/dbraw/zinc/34/22/93/182342293.db2.gz DJRAXPXYCLABSD-SFHVURJKSA-N 1 2 303.450 2.135 1 0 DEAFLO Cn1cccc1C(=O)N1CCC2(CN(c3cccc[nH+]3)C2)CC1 ZINC000003955746 181058824 /nfs/dbraw/zinc/05/88/24/181058824.db2.gz UPHNFOVCTXJWQH-UHFFFAOYSA-N 1 2 310.401 2.163 1 0 DEAFLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3nccs3)[C@@H]2C1 ZINC000299842435 257103426 /nfs/dbraw/zinc/10/34/26/257103426.db2.gz GDWIABOJQYISHE-CHWSQXEVSA-N 1 2 317.414 2.473 1 0 DEAFLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3nccs3)[C@@H]2C1 ZINC000299842435 257103428 /nfs/dbraw/zinc/10/34/28/257103428.db2.gz GDWIABOJQYISHE-CHWSQXEVSA-N 1 2 317.414 2.473 1 0 DEAFLO Cc1cc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)cc[nH+]1 ZINC000096907541 185390699 /nfs/dbraw/zinc/39/06/99/185390699.db2.gz RMKWXWRSMUTBAX-UHFFFAOYSA-N 1 2 317.780 2.424 1 0 DEAFLO [18F]c1cccc(N2CC[NH+](Cc3cc4ccccn4n3)CC2)n1 ZINC000100076875 193794854 /nfs/dbraw/zinc/79/48/54/193794854.db2.gz CECDNRUCUZFOLS-SQZVAGKESA-N 1 2 310.367 2.191 1 0 DEAFLO O=C(Nc1cc(Cl)nc(Cl)c1)OCC[NH+]1CCOCC1 ZINC000096929153 185392372 /nfs/dbraw/zinc/39/23/72/185392372.db2.gz MYFMXGCAQYZCTI-UHFFFAOYSA-N 1 2 320.176 2.269 1 0 DEAFLO C[NH+](C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000072137899 191047338 /nfs/dbraw/zinc/04/73/38/191047338.db2.gz SSQCNEPIMKOSPY-UHFFFAOYSA-N 1 2 305.765 2.399 1 0 DEAFLO c1cc2c(OCC[NH+]3CCOCC3)nc3ccsc3n2c1 ZINC000040845683 183141269 /nfs/dbraw/zinc/14/12/69/183141269.db2.gz YMBUXNNQMAXZMQ-UHFFFAOYSA-N 1 2 303.387 2.260 1 0 DEAFLO CN(Cc1cccs1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106905790 402221664 /nfs/dbraw/zinc/22/16/64/402221664.db2.gz ONJPNWJIILURHA-LBPRGKRZSA-N 1 2 304.419 2.136 1 0 DEAFLO CN(Cc1cccs1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106905790 402221667 /nfs/dbraw/zinc/22/16/67/402221667.db2.gz ONJPNWJIILURHA-LBPRGKRZSA-N 1 2 304.419 2.136 1 0 DEAFLO O=C(c1ccncc1)N1CCC2(CN(c3cccc[nH+]3)C2)CC1 ZINC000003956033 181058797 /nfs/dbraw/zinc/05/87/97/181058797.db2.gz VZJSCWUWQOXVKL-UHFFFAOYSA-N 1 2 308.385 2.219 1 0 DEAFLO Cn1ccc(C[N@H+]2CCc3cc4nc(N)sc4cc3CC2)n1 ZINC000095585094 185381756 /nfs/dbraw/zinc/38/17/56/185381756.db2.gz NCWVNDFDZCITBX-UHFFFAOYSA-N 1 2 313.430 2.213 1 0 DEAFLO Cn1ccc(C[N@@H+]2CCc3cc4nc(N)sc4cc3CC2)n1 ZINC000095585094 185381757 /nfs/dbraw/zinc/38/17/57/185381757.db2.gz NCWVNDFDZCITBX-UHFFFAOYSA-N 1 2 313.430 2.213 1 0 DEAFLO CCN(CC)c1[nH+]cccc1CNC(=O)[C@H](C)n1cccn1 ZINC000020784742 182247438 /nfs/dbraw/zinc/24/74/38/182247438.db2.gz HSRKPOUGSJFDSK-ZDUSSCGKSA-N 1 2 301.394 2.002 1 0 DEAFLO