smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001298262432 1064157856 /nfs/dbraw/zinc/15/78/56/1064157856.db2.gz FSYMGNVXBJFSCC-TYPHKJRUSA-N -1 0 459.524 3.161 20 5 JGBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001298262430 1064157869 /nfs/dbraw/zinc/15/78/69/1064157869.db2.gz FSYMGNVXBJFSCC-HMXCVIKNSA-N -1 0 459.524 3.161 20 5 JGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H]3COC[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC001300842390 1065580186 /nfs/dbraw/zinc/58/01/86/1065580186.db2.gz RJILBNYLUCPRKH-ZHRRBRCNSA-N -1 0 459.524 3.121 20 5 JGBDRM O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001301057497 1065909383 /nfs/dbraw/zinc/90/93/83/1065909383.db2.gz DXHPXKHLQJZXIW-QZTJIDSGSA-N -1 0 451.401 3.037 20 5 JGBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C([O-])(C(F)(F)F)C(F)(F)F)cnn2C(C)C)n1 ZINC001301214008 1066037213 /nfs/dbraw/zinc/03/72/13/1066037213.db2.gz SXCXELSSZAARPH-UHFFFAOYSA-N -1 0 458.319 3.153 20 5 JGBDRM COc1ccccc1[C@@H]1CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CCO1 ZINC001302447616 1067046156 /nfs/dbraw/zinc/04/61/56/1067046156.db2.gz PBOWBJUZBWOBDQ-IBGZPJMESA-N -1 0 458.858 3.362 20 5 JGBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001301058523 1065910934 /nfs/dbraw/zinc/91/09/34/1065910934.db2.gz IWXAUWUWIAINKF-NVXWUHKLSA-N -1 0 451.401 3.280 20 5 JGBDRM CC(C)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cnn(C)c1 ZINC001304384466 1067435256 /nfs/dbraw/zinc/43/52/56/1067435256.db2.gz LQHPUHZVCGWGEF-HXUWFJFHSA-N -1 0 457.512 3.256 20 5 JGBDRM CC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CC1 ZINC001303368246 1067897264 /nfs/dbraw/zinc/89/72/64/1067897264.db2.gz LFFOYKCAJCPHHM-UHFFFAOYSA-N -1 0 459.524 3.454 20 5 JGBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001298262431 1064157881 /nfs/dbraw/zinc/15/78/81/1064157881.db2.gz FSYMGNVXBJFSCC-NRSPTQNISA-N -1 0 459.524 3.161 20 5 JGBDRM O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001302344563 1066941730 /nfs/dbraw/zinc/94/17/30/1066941730.db2.gz XZJCTPBVFXCXKV-LBPRGKRZSA-N -1 0 450.224 3.034 20 5 JGBDRM O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001302620746 1067251811 /nfs/dbraw/zinc/25/18/11/1067251811.db2.gz JNVGMSAHPSWFHJ-HRAATJIYSA-N -1 0 459.524 3.331 20 5 JGBDRM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc1[O-])C2 ZINC001301280017 1066089373 /nfs/dbraw/zinc/08/93/73/1066089373.db2.gz ZIVQFWPUNSFBNB-UHFFFAOYSA-N -1 0 456.890 3.426 20 5 JGBDRM O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001302344562 1066941748 /nfs/dbraw/zinc/94/17/48/1066941748.db2.gz XZJCTPBVFXCXKV-GFCCVEGCSA-N -1 0 450.224 3.034 20 5 JGBDRM O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001302620748 1067251759 /nfs/dbraw/zinc/25/17/59/1067251759.db2.gz JNVGMSAHPSWFHJ-IIBYNOLFSA-N -1 0 459.524 3.331 20 5 JGBDRM O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC001302786578 1067378714 /nfs/dbraw/zinc/37/87/14/1067378714.db2.gz UHKILYQLZCFGQE-HKBOAZHASA-N -1 0 459.524 3.161 20 5 JGBDRM C[C@@H]1CCC(=O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001304335601 1067382108 /nfs/dbraw/zinc/38/21/08/1067382108.db2.gz RMZZBVVQGVZMHD-GFCCVEGCSA-N -1 0 451.888 3.243 20 5 JGBDRM C[C@H](O)[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001301473111 1066297194 /nfs/dbraw/zinc/29/71/94/1066297194.db2.gz VFGHROFLBYETSB-YCRPNKLZSA-N -1 0 455.492 3.248 20 5 JGBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)ccc1OC ZINC001299756622 1064955074 /nfs/dbraw/zinc/95/50/74/1064955074.db2.gz WRTUCSANCXJBBT-DLBZAZTESA-N -1 0 475.523 3.331 20 5 JGBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001300827692 1065556786 /nfs/dbraw/zinc/55/67/86/1065556786.db2.gz UMHMLSQRQJDSMG-JSGCOSHPSA-N -1 0 470.370 3.387 20 5 JGBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2nccn2C)c1 ZINC001301625193 1066483683 /nfs/dbraw/zinc/48/36/83/1066483683.db2.gz JOUZBRYTOFUMJA-HNNXBMFYSA-N -1 0 457.512 3.237 20 5 JGBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2nccn2C)c1 ZINC001301625194 1066484048 /nfs/dbraw/zinc/48/40/48/1066484048.db2.gz JOUZBRYTOFUMJA-OAHLLOKOSA-N -1 0 457.512 3.237 20 5 JGBDRM O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001302786576 1067378262 /nfs/dbraw/zinc/37/82/62/1067378262.db2.gz UHKILYQLZCFGQE-ACRUOGEOSA-N -1 0 459.524 3.161 20 5 JGBDRM CNc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001301057738 1065909355 /nfs/dbraw/zinc/90/93/55/1065909355.db2.gz HXTNTAOJRYHHIJ-NVXWUHKLSA-N -1 0 450.417 3.313 20 5 JGBDRM C[C@H](O)[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001301473108 1066296922 /nfs/dbraw/zinc/29/69/22/1066296922.db2.gz VFGHROFLBYETSB-BTYIYWSLSA-N -1 0 455.492 3.248 20 5 JGBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCc2c(O)cccc2C1 ZINC001302125315 1066568953 /nfs/dbraw/zinc/56/89/53/1066568953.db2.gz KXLWKNNAZYAQGT-UHFFFAOYSA-N -1 0 453.476 3.300 20 5 JGBDRM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001304728775 1067800905 /nfs/dbraw/zinc/80/09/05/1067800905.db2.gz SYHOHNZPMITNSR-OLZOCXBDSA-N -1 0 450.879 3.380 20 5 JGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc([N+](=O)[O-])c1C ZINC001303445017 1067966482 /nfs/dbraw/zinc/96/64/82/1067966482.db2.gz LWWFZKULFBKYCA-CTNGQTDRSA-N -1 0 459.524 3.310 20 5 JGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H]3COC[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC001300842387 1065580384 /nfs/dbraw/zinc/58/03/84/1065580384.db2.gz RJILBNYLUCPRKH-AOMKIAJQSA-N -1 0 459.524 3.121 20 5 JGBDRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001303786105 1068366608 /nfs/dbraw/zinc/36/66/08/1068366608.db2.gz KCNIJEZAJKSFBB-CHWSQXEVSA-N -1 0 479.921 3.372 20 5 JGBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)NOCCC2CC2)c1 ZINC001298486828 1064275970 /nfs/dbraw/zinc/27/59/70/1064275970.db2.gz POZLRQLFQHBBEW-UHFFFAOYSA-N -1 0 453.448 3.005 20 5 JGBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)NOCC2CCC2)c1 ZINC001301103522 1065950040 /nfs/dbraw/zinc/95/00/40/1065950040.db2.gz ZTHJBRSMKTVTSZ-UHFFFAOYSA-N -1 0 453.448 3.005 20 5 JGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4n[nH]cc4C3)cc2)cc1[N+](=O)[O-] ZINC001301598937 1066442602 /nfs/dbraw/zinc/44/26/02/1066442602.db2.gz LKBXDGSMVMCWEO-UHFFFAOYSA-N -1 0 455.496 3.016 20 5 JGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc([N+](=O)[O-])c1C ZINC001300842388 1065580213 /nfs/dbraw/zinc/58/02/13/1065580213.db2.gz RJILBNYLUCPRKH-KSFYIVLOSA-N -1 0 459.524 3.121 20 5 JGBDRM O=C([N-][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001301057770 1065909404 /nfs/dbraw/zinc/90/94/04/1065909404.db2.gz JGAQSHLJXKIFIB-NVXWUHKLSA-N -1 0 479.411 3.043 20 5 JGBDRM C[C@@H](O)[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001301473109 1066297371 /nfs/dbraw/zinc/29/73/71/1066297371.db2.gz VFGHROFLBYETSB-QVKFZJNVSA-N -1 0 455.492 3.248 20 5 JGBDRM O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001304060869 1067104372 /nfs/dbraw/zinc/10/43/72/1067104372.db2.gz DRCWQADHOVFBJN-YADHBBJMSA-N -1 0 467.503 3.174 20 5 JGBDRM CC(C)c1n[nH]c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC001301058634 1065910763 /nfs/dbraw/zinc/91/07/63/1065910763.db2.gz JSVKGYPSFQXEDL-ZIAGYGMSSA-N -1 0 453.421 3.118 20 5 JGBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccnc(F)c2)c1 ZINC001301801562 1066752722 /nfs/dbraw/zinc/75/27/22/1066752722.db2.gz UHSMOZICIGVHMD-UHFFFAOYSA-N -1 0 458.471 3.477 20 5 JGBDRM CC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC001303368054 1067897317 /nfs/dbraw/zinc/89/73/17/1067897317.db2.gz HQSZORHQPQGGSY-UHFFFAOYSA-N -1 0 459.524 3.454 20 5 JGBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC001303410435 1067936983 /nfs/dbraw/zinc/93/69/83/1067936983.db2.gz NWXHQLMOCINCDK-KSZLIROESA-N -1 0 471.535 3.333 20 5 JGBDRM O=C(NCC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001303647855 1068176285 /nfs/dbraw/zinc/17/62/85/1068176285.db2.gz ZUECPEPHGBTKTJ-OAHLLOKOSA-N -1 0 453.904 3.348 20 5 JGBDRM COC(=O)[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)[C@H](C)C1 ZINC001303936954 1068595690 /nfs/dbraw/zinc/59/56/90/1068595690.db2.gz QHNOWGSHDAJLBU-NVXWUHKLSA-N -1 0 475.523 3.118 20 5 JGBDRM O=C([N-]N1C(=O)c2ccc(Br)cc2C1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001299970906 1065259218 /nfs/dbraw/zinc/25/92/18/1065259218.db2.gz GFUQBGLNNZMNJF-UHFFFAOYSA-N -1 0 458.146 3.317 20 5 JGBDRM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnc(I)c([O-])c1 ZINC001301917592 1066947769 /nfs/dbraw/zinc/94/77/69/1066947769.db2.gz HDLZOZQHSLONMX-UHFFFAOYSA-N -1 0 451.579 3.023 20 5 JGBDRM CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC001304026509 1067073617 /nfs/dbraw/zinc/07/36/17/1067073617.db2.gz DNTVCQBKDKTEPT-UHFFFAOYSA-N -1 0 455.895 3.196 20 5 JGBDRM O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC001302786577 1067378224 /nfs/dbraw/zinc/37/82/24/1067378224.db2.gz UHKILYQLZCFGQE-HBMCJLEFSA-N -1 0 459.524 3.161 20 5 JGBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001304651852 1067719801 /nfs/dbraw/zinc/71/98/01/1067719801.db2.gz URQRICIVORDDKU-YCRPNKLZSA-N -1 0 477.564 3.229 20 5 JGBDRM O=C(NCC1(C2(O)CCC2)CCC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001303559806 1068083961 /nfs/dbraw/zinc/08/39/61/1068083961.db2.gz KOKDDSOFPKCKPI-UHFFFAOYSA-N -1 0 459.524 3.211 20 5 JGBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 ZINC001299927150 1065188371 /nfs/dbraw/zinc/18/83/71/1065188371.db2.gz GYKCGOBUIDTOHG-RISCZKNCSA-N -1 0 471.354 3.273 20 5 JGBDRM COc1ccc(F)c(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC001301233340 1066051948 /nfs/dbraw/zinc/05/19/48/1066051948.db2.gz XRJQJNDUXFVMOB-UHFFFAOYSA-N -1 0 459.455 3.473 20 5 JGBDRM COc1ccccc1[C@H]1CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CCO1 ZINC001302447618 1067046406 /nfs/dbraw/zinc/04/64/06/1067046406.db2.gz PBOWBJUZBWOBDQ-LJQANCHMSA-N -1 0 458.858 3.362 20 5 JGBDRM O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001302620747 1067251706 /nfs/dbraw/zinc/25/17/06/1067251706.db2.gz JNVGMSAHPSWFHJ-IERDGZPVSA-N -1 0 459.524 3.331 20 5 JGBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001298262429 1064157864 /nfs/dbraw/zinc/15/78/64/1064157864.db2.gz FSYMGNVXBJFSCC-CEWLAPEOSA-N -1 0 459.524 3.161 20 5 JGBDRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1)C(F)(F)F ZINC001299927075 1065188315 /nfs/dbraw/zinc/18/83/15/1065188315.db2.gz DBGZNIJVNKVEQR-OQPBUACISA-N -1 0 452.311 3.290 20 5 JGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc([N+](=O)[O-])c1C ZINC001300842389 1065580280 /nfs/dbraw/zinc/58/02/80/1065580280.db2.gz RJILBNYLUCPRKH-OPAMFIHVSA-N -1 0 459.524 3.121 20 5 JGBDRM CCc1[nH]nc(C(=O)Nc2c(C([O-])(C(F)(F)F)C(F)(F)F)cnn2C(C)C)c1[N+](=O)[O-] ZINC001301212974 1066036358 /nfs/dbraw/zinc/03/63/58/1066036358.db2.gz IPHOPKFJFYXCOC-UHFFFAOYSA-N -1 0 458.319 3.222 20 5 JGBDRM O=C(NCc1ccncc1Br)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001302305602 1066894811 /nfs/dbraw/zinc/89/48/11/1066894811.db2.gz WVCHGEXODMNJLW-UHFFFAOYSA-N -1 0 452.652 3.227 20 5 JGBDRM O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC001302786579 1067378659 /nfs/dbraw/zinc/37/86/59/1067378659.db2.gz UHKILYQLZCFGQE-NJYVYQBISA-N -1 0 459.524 3.161 20 5 JGBDRM C[C@H]1CCC(=O)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001304335609 1067382161 /nfs/dbraw/zinc/38/21/61/1067382161.db2.gz RMZZBVVQGVZMHD-LBPRGKRZSA-N -1 0 451.888 3.243 20 5 JGBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC001302889554 1067469149 /nfs/dbraw/zinc/46/91/49/1067469149.db2.gz GEDCHYGCEALJHT-UHFFFAOYSA-N -1 0 453.373 3.146 20 5 JGBDRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1)C(F)(F)F ZINC001300827431 1065556350 /nfs/dbraw/zinc/55/63/50/1065556350.db2.gz RKINUBHCMRITNR-UFBFGSQYSA-N -1 0 452.311 3.290 20 5 JGBDRM C[C@@H](O)[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001301473110 1066297266 /nfs/dbraw/zinc/29/72/66/1066297266.db2.gz VFGHROFLBYETSB-VFNWGFHPSA-N -1 0 455.492 3.248 20 5 JGBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC2(CCCC2=O)CC1 ZINC001301524480 1066351187 /nfs/dbraw/zinc/35/11/87/1066351187.db2.gz OJKGMFPJNVDSGX-UHFFFAOYSA-N -1 0 457.508 3.371 20 5 JGBDRM COCC1(C2CC2)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001302313833 1066909872 /nfs/dbraw/zinc/90/98/72/1066909872.db2.gz LEMRCYVPNUBSOI-UHFFFAOYSA-N -1 0 459.524 3.203 20 5 JGBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001302603446 1067239562 /nfs/dbraw/zinc/23/95/62/1067239562.db2.gz UPHWNWBWARTUPK-PXNSSMCTSA-N -1 0 473.551 3.497 20 5 JGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccn(C)n2)cc([N+](=O)[O-])c1C ZINC001305280323 1068483352 /nfs/dbraw/zinc/48/33/52/1068483352.db2.gz OWRKPKLQEFHUPX-UHFFFAOYSA-N -1 0 457.512 3.018 20 5 JGBDRM O=C(NCCC1SCCS1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001301420113 1066212897 /nfs/dbraw/zinc/21/28/97/1066212897.db2.gz LPFCTVISJIURKH-UHFFFAOYSA-N -1 0 453.567 3.322 20 5 JGBDRM O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001302620749 1067252191 /nfs/dbraw/zinc/25/21/91/1067252191.db2.gz JNVGMSAHPSWFHJ-KKSFZXQISA-N -1 0 459.524 3.331 20 5 JGBDRM CC(C)[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cnn(C)c1 ZINC001304384462 1067435306 /nfs/dbraw/zinc/43/53/06/1067435306.db2.gz LQHPUHZVCGWGEF-FQEVSTJZSA-N -1 0 457.512 3.256 20 5 JGBDRM