smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308725716 991113049 /nfs/dbraw/zinc/11/30/49/991113049.db2.gz RZPWOXZEXDOOLT-UHFFFAOYSA-N -1 2 212.199 1.674 20 30 BDEDLM CCCCN(O)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001262165591 992730941 /nfs/dbraw/zinc/73/09/41/992730941.db2.gz ZMWBSNAGSLLNNV-SECBINFHSA-N -1 2 211.265 1.462 20 30 BDEDLM C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1O ZINC000800355493 586213531 /nfs/dbraw/zinc/21/35/31/586213531.db2.gz GOCCBRHGMLOIRB-NSHDSACASA-N -1 2 235.283 1.552 20 30 BDEDLM C=C[C@H](C)ONC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001588451531 981774844 /nfs/dbraw/zinc/77/48/44/981774844.db2.gz ZARBKGLMXSHYSU-WPRPVWTQSA-N -1 2 241.287 1.500 20 30 BDEDLM C#CC(C)(C)NC(=O)c1cccc2[nH]nnc21 ZINC000490717923 388249627 /nfs/dbraw/zinc/24/96/27/388249627.db2.gz GAXYVGAGGDRCLN-UHFFFAOYSA-N -1 2 228.255 1.100 20 30 BDEDLM Cc1cc(=O)[nH]c(N=NC2CC[N@@H+]3CCC[C@@H]23)n1 ZINC000765544689 585489318 /nfs/dbraw/zinc/48/93/18/585489318.db2.gz VBPAGGKCAZKEPY-JTQLQIEISA-N -1 2 247.302 1.127 20 30 BDEDLM C#C[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234339642 978824366 /nfs/dbraw/zinc/82/43/66/978824366.db2.gz QVQHTYBIPRWAHZ-QMMMGPOBSA-N -1 2 242.167 1.559 20 30 BDEDLM C#C[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234339642 978824369 /nfs/dbraw/zinc/82/43/69/978824369.db2.gz QVQHTYBIPRWAHZ-QMMMGPOBSA-N -1 2 242.167 1.559 20 30 BDEDLM C#CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)C1CC1 ZINC000491420512 388293195 /nfs/dbraw/zinc/29/31/95/388293195.db2.gz YGIKHOKTONMBKD-UHFFFAOYSA-N -1 2 231.299 1.342 20 30 BDEDLM C=CC[C@@H](C)Nc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823888113 587245450 /nfs/dbraw/zinc/24/54/50/587245450.db2.gz FZQLGOXPNGPTNI-SECBINFHSA-N -1 2 244.302 1.947 20 30 BDEDLM N#C[N-]C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177915140 978474103 /nfs/dbraw/zinc/47/41/03/978474103.db2.gz KEVBHUPTBMLVJY-SSDOTTSWSA-N -1 2 205.242 1.028 20 30 BDEDLM C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000289625625 353623263 /nfs/dbraw/zinc/62/32/63/353623263.db2.gz DWVJTBYZEHCASH-SFYZADRCSA-N -1 2 243.253 1.868 20 30 BDEDLM CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000292903928 353728872 /nfs/dbraw/zinc/72/88/72/353728872.db2.gz AOLYELXITSYWSJ-SNVBAGLBSA-N -1 2 235.287 1.265 20 30 BDEDLM C=CCC1([NH2+]Cc2n[nH]c(=O)[nH]2)CCCC1 ZINC000661852523 411902873 /nfs/dbraw/zinc/90/28/73/411902873.db2.gz XSLHHBNIVBKPMD-UHFFFAOYSA-N -1 2 222.292 1.489 20 30 BDEDLM C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1n[nH]c(=O)[nH]1 ZINC000662090557 411985454 /nfs/dbraw/zinc/98/54/54/411985454.db2.gz QGGWAYNPQMKHSO-DTORHVGOSA-N -1 2 220.276 1.193 20 30 BDEDLM C=CCONC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001602728819 979208238 /nfs/dbraw/zinc/20/82/38/979208238.db2.gz IUIGKCWNZBXARO-VIFPVBQESA-N -1 2 227.260 1.111 20 30 BDEDLM C=C[C@@H](C)ONC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001588451028 982224332 /nfs/dbraw/zinc/22/43/32/982224332.db2.gz KSFDOBRHVIEINA-SFYZADRCSA-N -1 2 229.276 1.356 20 30 BDEDLM CC#CC[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1 ZINC000293098708 136289286 /nfs/dbraw/zinc/28/92/86/136289286.db2.gz KYHMEVWYFZERAC-UHFFFAOYSA-N -1 2 219.288 1.200 20 30 BDEDLM C=CC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661380433 411762043 /nfs/dbraw/zinc/76/20/43/411762043.db2.gz HAFBLPYKXPNTLL-VIFPVBQESA-N -1 2 222.292 1.298 20 30 BDEDLM O=C(CCn1c2ccccc2[nH+]c1C1CC1)NO ZINC000671996748 487930579 /nfs/dbraw/zinc/93/05/79/487930579.db2.gz UHWMGEGDWKKUQM-UHFFFAOYSA-N -1 2 245.282 1.809 20 30 BDEDLM NC(=O)CC1(C/[NH+]=C/c2ccccc2O)CC1 ZINC000817706878 586818743 /nfs/dbraw/zinc/81/87/43/586818743.db2.gz FVZMZXUJTVNNCZ-OVCLIPMQSA-N -1 2 232.283 1.467 20 30 BDEDLM C=CC(C=C)Oc1nc(-c2cccnc2)n[nH]1 ZINC001228698166 976437162 /nfs/dbraw/zinc/43/71/62/976437162.db2.gz OBSUOFIZSMOAPU-UHFFFAOYSA-N -1 2 228.255 1.986 20 30 BDEDLM Cc1csc(C(C#N)C(=O)[C@H](C)C(=O)[O-])n1 ZINC001594435272 977656623 /nfs/dbraw/zinc/65/66/23/977656623.db2.gz BEXJQZMCJOPHAC-BQBZGAKWSA-N -1 2 238.268 1.349 20 30 BDEDLM N#CCC[N@@H+](Cc1ncccc1O)CC1CC1 ZINC000580498476 359750927 /nfs/dbraw/zinc/75/09/27/359750927.db2.gz RFERARSNIUTXIB-UHFFFAOYSA-N -1 2 231.299 1.913 20 30 BDEDLM C[C@H](C(=O)NO)n1cc[nH+]c1-c1ccccc1 ZINC000671996402 487927281 /nfs/dbraw/zinc/92/72/81/487927281.db2.gz SUNNDIYLHZYPDI-SECBINFHSA-N -1 2 231.255 1.617 20 30 BDEDLM Cc1cc(=O)[nH]c(N=NC2CC[N@@H+]3CCC[C@H]23)n1 ZINC000765544693 585489549 /nfs/dbraw/zinc/48/95/49/585489549.db2.gz VBPAGGKCAZKEPY-SNVBAGLBSA-N -1 2 247.302 1.127 20 30 BDEDLM C[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC001140052993 991510326 /nfs/dbraw/zinc/51/03/26/991510326.db2.gz KNXNQYVCKLFDIO-UHFFFAOYSA-N -1 2 208.236 1.877 20 30 BDEDLM C#C[C@@H]1CCC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000847021775 588302912 /nfs/dbraw/zinc/30/29/12/588302912.db2.gz PBKMOKMPIIPHMB-LLVKDONJSA-N -1 2 245.326 1.590 20 30 BDEDLM C=CC[C@H](C)Nc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823888117 587245498 /nfs/dbraw/zinc/24/54/98/587245498.db2.gz FZQLGOXPNGPTNI-VIFPVBQESA-N -1 2 244.302 1.947 20 30 BDEDLM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)[O-] ZINC000738947863 602096761 /nfs/dbraw/zinc/09/67/61/602096761.db2.gz YBWBAPUVUCJNRR-VUSGQZFOSA-N -1 2 238.199 1.192 20 30 BDEDLM C=C[C@@H](C)ONC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001588451528 982227297 /nfs/dbraw/zinc/22/72/97/982227297.db2.gz ZARBKGLMXSHYSU-PSASIEDQSA-N -1 2 241.287 1.500 20 30 BDEDLM C#C[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332667 978821245 /nfs/dbraw/zinc/82/12/45/978821245.db2.gz QVQHTYBIPRWAHZ-MRVPVSSYSA-N -1 2 242.167 1.559 20 30 BDEDLM C#C[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332667 978821247 /nfs/dbraw/zinc/82/12/47/978821247.db2.gz QVQHTYBIPRWAHZ-MRVPVSSYSA-N -1 2 242.167 1.559 20 30 BDEDLM C=CC[C@@H](C)NC(=O)c1cccc2[nH]nnc21 ZINC000188043025 346709297 /nfs/dbraw/zinc/70/92/97/346709297.db2.gz LNAQAXNILNWYFC-MRVPVSSYSA-N -1 2 230.271 1.652 20 30 BDEDLM C#CCCCNc1[nH+]c(C)ccc1-c1nn[nH]n1 ZINC000823842213 587242130 /nfs/dbraw/zinc/24/21/30/587242130.db2.gz ZBJTTXKAKZWANM-UHFFFAOYSA-N -1 2 242.286 1.395 20 30 BDEDLM C[C@@H](C(=O)NO)n1cc[nH+]c1-c1ccccc1 ZINC000671996407 487927076 /nfs/dbraw/zinc/92/70/76/487927076.db2.gz SUNNDIYLHZYPDI-VIFPVBQESA-N -1 2 231.255 1.617 20 30 BDEDLM Cc1cc(=O)nc(NN=CCCCC(=O)[O-])[nH]1 ZINC001605216635 979836978 /nfs/dbraw/zinc/83/69/78/979836978.db2.gz IYGQBSXLDBFFSU-UHFFFAOYSA-N -1 2 238.247 1.143 20 30 BDEDLM Cc1cc(=O)[nH]c(N=NCCCCC(=O)[O-])n1 ZINC001605216635 979836981 /nfs/dbraw/zinc/83/69/81/979836981.db2.gz IYGQBSXLDBFFSU-UHFFFAOYSA-N -1 2 238.247 1.143 20 30 BDEDLM C=C(C)CNC(=O)c1c[nH]c2cccnc2c1=O ZINC001153859899 962645423 /nfs/dbraw/zinc/64/54/23/962645423.db2.gz AOZZJBKNVVTUBT-UHFFFAOYSA-N -1 2 243.266 1.229 20 30 BDEDLM Cc1csc(C(C#N)C(=O)[C@H](C)C(=O)[O-])n1 ZINC001594435273 977659435 /nfs/dbraw/zinc/65/94/35/977659435.db2.gz BEXJQZMCJOPHAC-NKWVEPMBSA-N -1 2 238.268 1.349 20 30 BDEDLM CCCCN(O)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001262165592 992732033 /nfs/dbraw/zinc/73/20/33/992732033.db2.gz ZMWBSNAGSLLNNV-VIFPVBQESA-N -1 2 211.265 1.462 20 30 BDEDLM CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000292903927 353728397 /nfs/dbraw/zinc/72/83/97/353728397.db2.gz AOLYELXITSYWSJ-JTQLQIEISA-N -1 2 235.287 1.265 20 30 BDEDLM C=C[C@H](C)O[N-]C(=O)[C@H](F)C(F)(F)F ZINC000846554482 588272441 /nfs/dbraw/zinc/27/24/41/588272441.db2.gz JLCNKAMRTUPRPX-WHFBIAKZSA-N -1 2 215.146 1.509 20 30 BDEDLM Cc1csc(C(C#N)C(=O)[C@@H](C)C(=O)[O-])n1 ZINC001594435274 977658708 /nfs/dbraw/zinc/65/87/08/977658708.db2.gz BEXJQZMCJOPHAC-RNFRBKRXSA-N -1 2 238.268 1.349 20 30 BDEDLM C=C[C@@H](C)NC(=O)c1cccc2[nH]nnc21 ZINC000682164934 487921264 /nfs/dbraw/zinc/92/12/64/487921264.db2.gz VLRLFWFQCYUYQL-SSDOTTSWSA-N -1 2 216.244 1.262 20 30 BDEDLM C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccccc1O ZINC000800355491 586213006 /nfs/dbraw/zinc/21/30/06/586213006.db2.gz GOCCBRHGMLOIRB-LLVKDONJSA-N -1 2 235.283 1.552 20 30 BDEDLM C=C[C@H](C)O[N-]C(=O)[C@@H](F)C(F)(F)F ZINC000846554479 588276536 /nfs/dbraw/zinc/27/65/36/588276536.db2.gz JLCNKAMRTUPRPX-CRCLSJGQSA-N -1 2 215.146 1.509 20 30 BDEDLM C=CC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)F ZINC001142770905 961727119 /nfs/dbraw/zinc/72/71/19/961727119.db2.gz OAVNBHBGKMSQRX-QMMMGPOBSA-N -1 2 236.237 1.315 20 30 BDEDLM CC#CCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC001588746319 982448755 /nfs/dbraw/zinc/44/87/55/982448755.db2.gz PYTLTJZBIRHCGP-UHFFFAOYSA-N -1 2 242.286 1.395 20 30 BDEDLM O=C([N-]OCC(F)(F)F)[C@@H](F)C(F)(F)F ZINC000810598842 586542060 /nfs/dbraw/zinc/54/20/60/586542060.db2.gz GPRDJEPKRSDYOT-UWTATZPHSA-N -1 2 243.078 1.497 20 30 BDEDLM C#CCCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823842059 587242090 /nfs/dbraw/zinc/24/20/90/587242090.db2.gz XQKBJBQGFKLYEN-UHFFFAOYSA-N -1 2 242.286 1.395 20 30 BDEDLM Cc1csc(C(C#N)C(=O)[C@@H](C)C(=O)[O-])n1 ZINC001594435275 977657514 /nfs/dbraw/zinc/65/75/14/977657514.db2.gz BEXJQZMCJOPHAC-RQJHMYQMSA-N -1 2 238.268 1.349 20 30 BDEDLM N#Cc1ccc(O)c([N-]S(=O)(=O)C(F)F)c1 ZINC001259957882 986376628 /nfs/dbraw/zinc/37/66/28/986376628.db2.gz HOZBCFWXYOUVBG-UHFFFAOYSA-N -1 2 248.210 1.228 20 30 BDEDLM C[N@H+](CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000821597707 587131672 /nfs/dbraw/zinc/13/16/72/587131672.db2.gz DOIJRGFMGRNMQV-UHFFFAOYSA-N -1 2 242.286 1.212 20 30 BDEDLM COCC[N@@H+](CCC#N)Cc1ccccc1O ZINC000770510799 585575336 /nfs/dbraw/zinc/57/53/36/585575336.db2.gz QNOKNABYMHMVJH-UHFFFAOYSA-N -1 2 234.299 1.754 20 30 BDEDLM C[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821597587 587131561 /nfs/dbraw/zinc/13/15/61/587131561.db2.gz AKUYSYQXCRZFHV-UHFFFAOYSA-N -1 2 242.286 1.212 20 30 BDEDLM C=C[C@@H](C)O[N-]C(=O)[C@@H](F)C(F)(F)F ZINC000846554480 588272340 /nfs/dbraw/zinc/27/23/40/588272340.db2.gz JLCNKAMRTUPRPX-RFZPGFLSSA-N -1 2 215.146 1.509 20 30 BDEDLM C#CCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823845437 587243065 /nfs/dbraw/zinc/24/30/65/587243065.db2.gz SHVDJLWWIAEIOM-UHFFFAOYSA-N -1 2 228.259 1.005 20 30 BDEDLM C=C[C@H](C)ONC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001588451029 982226941 /nfs/dbraw/zinc/22/69/41/982226941.db2.gz KSFDOBRHVIEINA-YUMQZZPRSA-N -1 2 229.276 1.356 20 30 BDEDLM C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000289625629 353623310 /nfs/dbraw/zinc/62/33/10/353623310.db2.gz DWVJTBYZEHCASH-YUMQZZPRSA-N -1 2 243.253 1.868 20 30 BDEDLM C#CC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC001233077440 978462114 /nfs/dbraw/zinc/46/21/14/978462114.db2.gz OQIVGQNIDCMBCS-UHFFFAOYSA-N -1 2 211.211 1.735 20 30 BDEDLM C=C[C@@H](C)ONC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001588451529 982226187 /nfs/dbraw/zinc/22/61/87/982226187.db2.gz ZARBKGLMXSHYSU-SCZZXKLOSA-N -1 2 241.287 1.500 20 30 BDEDLM C=CCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000280744513 351859315 /nfs/dbraw/zinc/85/93/15/351859315.db2.gz WSMOMPSIKCJJGU-RIYZIHGNSA-N -1 2 234.299 1.973 20 30 BDEDLM C#C[C@H](CCC)NC(=O)c1cccc2[nH]nnc21 ZINC000491264021 385270208 /nfs/dbraw/zinc/27/02/08/385270208.db2.gz DHUWGMAMSUHMGV-SECBINFHSA-N -1 2 242.282 1.490 20 30 BDEDLM C[N@H+](CCC#N)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821598177 587131654 /nfs/dbraw/zinc/13/16/54/587131654.db2.gz UAPMXZJJFBYCHQ-UHFFFAOYSA-N -1 2 242.286 1.212 20 30 BDEDLM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)[O-] ZINC000256012670 600153315 /nfs/dbraw/zinc/15/33/15/600153315.db2.gz YBWBAPUVUCJNRR-BGOHJYOJSA-N -1 2 238.199 1.192 20 30 BDEDLM C=C[C@@H](C)O[N-]C(=O)[C@H](F)C(F)(F)F ZINC000846554481 588272331 /nfs/dbraw/zinc/27/23/31/588272331.db2.gz JLCNKAMRTUPRPX-UHNVWZDZSA-N -1 2 215.146 1.509 20 30 BDEDLM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)[O-] ZINC000256012671 600153155 /nfs/dbraw/zinc/15/31/55/600153155.db2.gz YBWBAPUVUCJNRR-KJEDMFHHSA-N -1 2 238.199 1.192 20 30 BDEDLM C=C[C@H](C)ONC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001588451530 981771657 /nfs/dbraw/zinc/77/16/57/981771657.db2.gz ZARBKGLMXSHYSU-WCBMZHEXSA-N -1 2 241.287 1.500 20 30 BDEDLM C=CCONC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001602728818 979206359 /nfs/dbraw/zinc/20/63/59/979206359.db2.gz IUIGKCWNZBXARO-SECBINFHSA-N -1 2 227.260 1.111 20 30 BDEDLM C=C[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000289625619 353623253 /nfs/dbraw/zinc/62/32/53/353623253.db2.gz DWVJTBYZEHCASH-HTQZYQBOSA-N -1 2 243.253 1.868 20 30 BDEDLM CC#CC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000293131508 353734821 /nfs/dbraw/zinc/73/48/21/353734821.db2.gz MWEJPFNXTZQBKD-JTQLQIEISA-N -1 2 219.288 1.507 20 30 BDEDLM NC(=O)CC1(C/[NH+]=C\c2ccccc2O)CC1 ZINC000817706876 586818720 /nfs/dbraw/zinc/81/87/20/586818720.db2.gz FVZMZXUJTVNNCZ-NVNXTCNLSA-N -1 2 232.283 1.467 20 30 BDEDLM CCCc1[nH+]c2ccccc2n1CCC(=O)NO ZINC000671996292 487926901 /nfs/dbraw/zinc/92/69/01/487926901.db2.gz OMJWJHDNUSKWMP-UHFFFAOYSA-N -1 2 247.298 1.884 20 30 BDEDLM C=C[C@H](C)ONC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001588451027 982227113 /nfs/dbraw/zinc/22/71/13/982227113.db2.gz KSFDOBRHVIEINA-JGVFFNPUSA-N -1 2 229.276 1.356 20 30 BDEDLM C#C[C@@H](CCC)NC(=O)c1cccc2[nH]nnc21 ZINC000491264022 385270806 /nfs/dbraw/zinc/27/08/06/385270806.db2.gz DHUWGMAMSUHMGV-VIFPVBQESA-N -1 2 242.282 1.490 20 30 BDEDLM C=CC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661380432 411762759 /nfs/dbraw/zinc/76/27/59/411762759.db2.gz HAFBLPYKXPNTLL-SECBINFHSA-N -1 2 222.292 1.298 20 30 BDEDLM CC[N@@H+](CC(=O)NO)Cc1ccc(Cl)cc1 ZINC000671996369 487927130 /nfs/dbraw/zinc/92/71/30/487927130.db2.gz SKFQGFWMVLTUMK-UHFFFAOYSA-N -1 2 242.706 1.667 20 30 BDEDLM C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000289625621 353623439 /nfs/dbraw/zinc/62/34/39/353623439.db2.gz DWVJTBYZEHCASH-JGVFFNPUSA-N -1 2 243.253 1.868 20 30 BDEDLM O=C([N-]OCC(F)(F)F)[C@H](F)C(F)(F)F ZINC000810598841 586541976 /nfs/dbraw/zinc/54/19/76/586541976.db2.gz GPRDJEPKRSDYOT-REOHCLBHSA-N -1 2 243.078 1.497 20 30 BDEDLM N#C[N-]C(=O)[C@H](C#N)Cc1cccs1 ZINC001177915141 978471293 /nfs/dbraw/zinc/47/12/93/978471293.db2.gz KEVBHUPTBMLVJY-ZETCQYMHSA-N -1 2 205.242 1.028 20 30 BDEDLM C=C[C@H](C)NC(=O)c1cccc2[nH]nnc21 ZINC000682164937 487921563 /nfs/dbraw/zinc/92/15/63/487921563.db2.gz VLRLFWFQCYUYQL-ZETCQYMHSA-N -1 2 216.244 1.262 20 30 BDEDLM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)[O-] ZINC000738947864 602096745 /nfs/dbraw/zinc/09/67/45/602096745.db2.gz YBWBAPUVUCJNRR-XDELZERXSA-N -1 2 238.199 1.192 20 30 BDEDLM C=CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000731211254 584923825 /nfs/dbraw/zinc/92/38/25/584923825.db2.gz CYGJYFLEWIWPDS-UHFFFAOYSA-N -1 2 246.314 1.419 20 30 BDEDLM C#C[C@H]1CCC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000847021776 588302609 /nfs/dbraw/zinc/30/26/09/588302609.db2.gz PBKMOKMPIIPHMB-NSHDSACASA-N -1 2 245.326 1.590 20 30 BDEDLM C=C[C@@H](C)ONC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001588451026 982225959 /nfs/dbraw/zinc/22/59/59/982225959.db2.gz KSFDOBRHVIEINA-HTQZYQBOSA-N -1 2 229.276 1.356 20 30 BDEDLM N#CCCCCNC(=O)c1cccc2[nH]nnc21 ZINC000187776004 346612805 /nfs/dbraw/zinc/61/28/05/346612805.db2.gz AWKQQUZEODCQNX-UHFFFAOYSA-N -1 2 243.270 1.382 20 30 BDEDLM