smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000159550683 343202462 /nfs/dbraw/zinc/20/24/62/343202462.db2.gz DQFGRMMGCXTMAV-FXQIFTODSA-N 1 2 201.266 0.297 20 70 BCIDLO COc1ccc[nH+]c1NCC(=O)N(C)C ZINC000160202607 323063637 /nfs/dbraw/zinc/06/36/37/323063637.db2.gz QMIOQIFRKLCHBF-UHFFFAOYSA-N 1 2 209.249 0.590 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCOCC[C@H]2C)[nH]1 ZINC000160535293 349119518 /nfs/dbraw/zinc/11/95/18/349119518.db2.gz NGOLQSODXJRWGQ-SECBINFHSA-N 1 2 224.308 0.978 20 70 BCIDLO CCc1nnc(C[N@H+]2CCOCC[C@H]2C)[nH]1 ZINC000160535293 349119523 /nfs/dbraw/zinc/11/95/23/349119523.db2.gz NGOLQSODXJRWGQ-SECBINFHSA-N 1 2 224.308 0.978 20 70 BCIDLO CCc1nnc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000160718257 353269168 /nfs/dbraw/zinc/26/91/68/353269168.db2.gz DCOIVCQTFBHQRP-RKDXNWHRSA-N 1 2 224.308 0.570 20 70 BCIDLO CCc1nnc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000160718257 353269169 /nfs/dbraw/zinc/26/91/69/353269169.db2.gz DCOIVCQTFBHQRP-RKDXNWHRSA-N 1 2 224.308 0.570 20 70 BCIDLO CCN(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160560012 357065735 /nfs/dbraw/zinc/06/57/35/357065735.db2.gz MFVQYUHIEQZRJJ-LLVKDONJSA-N 1 2 241.335 0.465 20 70 BCIDLO O[C@H](C[NH2+]Cc1ncc[nH]1)C(F)(F)F ZINC000218208481 183225566 /nfs/dbraw/zinc/22/55/66/183225566.db2.gz FCMRPAJQSWAGEL-RXMQYKEDSA-N 1 2 209.171 0.423 20 70 BCIDLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCCO1 ZINC000160202440 384393923 /nfs/dbraw/zinc/39/39/23/384393923.db2.gz PIPAMEGKLVAPJU-SNVBAGLBSA-N 1 2 237.303 0.948 20 70 BCIDLO O=C(C(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000217639458 385889544 /nfs/dbraw/zinc/88/95/44/385889544.db2.gz DXNXRNGZAALVFN-UHFFFAOYSA-N 1 2 241.241 0.995 20 70 BCIDLO CCOCCC[NH2+]C(C)(C)C(=O)OC ZINC000159530751 388019609 /nfs/dbraw/zinc/01/96/09/388019609.db2.gz JZGMOXJRGHPHFO-UHFFFAOYSA-N 1 2 203.282 0.954 20 70 BCIDLO COc1ccc[nH+]c1NC[C@H]1COCCO1 ZINC000160213400 323064165 /nfs/dbraw/zinc/06/41/65/323064165.db2.gz IISVKCGLOXZPSI-VIFPVBQESA-N 1 2 224.260 0.918 20 70 BCIDLO Cc1nc(NCCn2ccnn2)cc[nH+]1 ZINC000159624519 585025814 /nfs/dbraw/zinc/02/58/14/585025814.db2.gz YKDQOFVPYAOPGG-UHFFFAOYSA-N 1 2 204.237 0.489 20 70 BCIDLO CCn1cc[nH+]c1CN(CC(N)=O)CC(C)C ZINC000160759844 358434275 /nfs/dbraw/zinc/43/42/75/358434275.db2.gz IFHFBCDDCNTXDI-UHFFFAOYSA-N 1 2 238.335 0.846 20 70 BCIDLO CCC(C)(CC)C(=O)N1CC[NH+](CCO)CC1 ZINC000159432536 541494142 /nfs/dbraw/zinc/49/41/42/541494142.db2.gz RRCKPHAJGACDGF-UHFFFAOYSA-N 1 2 242.363 0.949 20 70 BCIDLO C[C@@H]1OCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000160616388 384421332 /nfs/dbraw/zinc/42/13/32/384421332.db2.gz NSQDZUYQFYVOLN-UWVGGRQHSA-N 1 2 238.291 0.360 20 70 BCIDLO C[C@H]1OCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000160616021 384423048 /nfs/dbraw/zinc/42/30/48/384423048.db2.gz NSQDZUYQFYVOLN-NXEZZACHSA-N 1 2 238.291 0.360 20 70 BCIDLO COC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161139973 384466939 /nfs/dbraw/zinc/46/69/39/384466939.db2.gz LVCDVMLKOYBKLJ-UHFFFAOYSA-N 1 2 249.314 0.372 20 70 BCIDLO COCc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000160311016 387080058 /nfs/dbraw/zinc/08/00/58/387080058.db2.gz BZGICTNCWOBEAY-LLVKDONJSA-N 1 2 238.287 0.876 20 70 BCIDLO COCc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000160311016 387080064 /nfs/dbraw/zinc/08/00/64/387080064.db2.gz BZGICTNCWOBEAY-LLVKDONJSA-N 1 2 238.287 0.876 20 70 BCIDLO CCCn1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000160334944 387082411 /nfs/dbraw/zinc/08/24/11/387082411.db2.gz YGJDSNZACBNBCH-LLVKDONJSA-N 1 2 236.319 0.743 20 70 BCIDLO CCCn1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000160334944 387082416 /nfs/dbraw/zinc/08/24/16/387082416.db2.gz YGJDSNZACBNBCH-LLVKDONJSA-N 1 2 236.319 0.743 20 70 BCIDLO CSC[C@](C)(O)C[NH2+]Cc1cn[nH]c1C ZINC000217858007 388573248 /nfs/dbraw/zinc/57/32/48/388573248.db2.gz LLVGVDMSBPTDBH-SNVBAGLBSA-N 1 2 229.349 0.922 20 70 BCIDLO CSC[C@@](C)(O)C[NH2+]Cc1cn[nH]c1C ZINC000217857934 388573525 /nfs/dbraw/zinc/57/35/25/388573525.db2.gz LLVGVDMSBPTDBH-JTQLQIEISA-N 1 2 229.349 0.922 20 70 BCIDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159603147 323040262 /nfs/dbraw/zinc/04/02/62/323040262.db2.gz KJOUEPPRFKMOSR-UWVGGRQHSA-N 1 2 224.308 0.408 20 70 BCIDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159603147 323040263 /nfs/dbraw/zinc/04/02/63/323040263.db2.gz KJOUEPPRFKMOSR-UWVGGRQHSA-N 1 2 224.308 0.408 20 70 BCIDLO C[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000159624497 323040687 /nfs/dbraw/zinc/04/06/87/323040687.db2.gz VIGOIIJYXAGKQC-JTQLQIEISA-N 1 2 244.298 0.655 20 70 BCIDLO COc1ccc[nH+]c1NCCc1nnc[nH]1 ZINC000160240039 323064428 /nfs/dbraw/zinc/06/44/28/323064428.db2.gz GHFYSVYDKVJIMK-UHFFFAOYSA-N 1 2 219.248 0.863 20 70 BCIDLO COc1ccc[nH+]c1NC[C@@](C)(O)CO ZINC000160249451 323064472 /nfs/dbraw/zinc/06/44/72/323064472.db2.gz ZPKXSIOAXPJXTA-SNVBAGLBSA-N 1 2 212.249 0.245 20 70 BCIDLO Cn1ncnc1C[N@H+](C)CCCCCO ZINC000218016679 536332963 /nfs/dbraw/zinc/33/29/63/536332963.db2.gz WEWNIHJKWXXUKP-UHFFFAOYSA-N 1 2 212.297 0.410 20 70 BCIDLO Cn1ncnc1C[N@@H+](C)CCCCCO ZINC000218016679 536332964 /nfs/dbraw/zinc/33/29/64/536332964.db2.gz WEWNIHJKWXXUKP-UHFFFAOYSA-N 1 2 212.297 0.410 20 70 BCIDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218204022 536627657 /nfs/dbraw/zinc/62/76/57/536627657.db2.gz FKRQZEYHVLNNHR-DTWKUNHWSA-N 1 2 229.276 0.433 20 70 BCIDLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218204022 536627663 /nfs/dbraw/zinc/62/76/63/536627663.db2.gz FKRQZEYHVLNNHR-DTWKUNHWSA-N 1 2 229.276 0.433 20 70 BCIDLO C[N@H+](CC(=O)OC(C)(C)C)CC(C)(CO)CO ZINC000159515426 323024123 /nfs/dbraw/zinc/02/41/23/323024123.db2.gz KZVRAEVEDUMRKC-UHFFFAOYSA-N 1 2 247.335 0.251 20 70 BCIDLO C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(CO)CO ZINC000159515426 323024124 /nfs/dbraw/zinc/02/41/24/323024124.db2.gz KZVRAEVEDUMRKC-UHFFFAOYSA-N 1 2 247.335 0.251 20 70 BCIDLO COc1ccc[nH+]c1N1CC[C@@H](CO)C1 ZINC000160308286 355870838 /nfs/dbraw/zinc/87/08/38/355870838.db2.gz BKYPVJOFFSIUQQ-SECBINFHSA-N 1 2 208.261 0.909 20 70 BCIDLO C[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)C[C@H](C)O1 ZINC000161074029 541356899 /nfs/dbraw/zinc/35/68/99/541356899.db2.gz IWJGXXZUXJJOHI-PHIMTYICSA-N 1 2 249.376 0.920 20 70 BCIDLO C[C@@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@H](C)O1 ZINC000161074029 541356905 /nfs/dbraw/zinc/35/69/05/541356905.db2.gz IWJGXXZUXJJOHI-PHIMTYICSA-N 1 2 249.376 0.920 20 70 BCIDLO Cc1[nH]ncc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159840694 384363312 /nfs/dbraw/zinc/36/33/12/384363312.db2.gz GMHUXFLYGVEVFT-UHFFFAOYSA-N 1 2 236.319 0.806 20 70 BCIDLO C[C@@H]1C(=O)NCC[N@H+]1CCOCC1CC1 ZINC000160353144 384403937 /nfs/dbraw/zinc/40/39/37/384403937.db2.gz AGZYJQGSDSDDBT-SECBINFHSA-N 1 2 212.293 0.233 20 70 BCIDLO C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1CC1 ZINC000160353144 384403942 /nfs/dbraw/zinc/40/39/42/384403942.db2.gz AGZYJQGSDSDDBT-SECBINFHSA-N 1 2 212.293 0.233 20 70 BCIDLO C[C@H]1C(=O)NCC[N@H+]1CCOCC1CC1 ZINC000160353267 386428797 /nfs/dbraw/zinc/42/87/97/386428797.db2.gz AGZYJQGSDSDDBT-VIFPVBQESA-N 1 2 212.293 0.233 20 70 BCIDLO C[C@H]1C(=O)NCC[N@@H+]1CCOCC1CC1 ZINC000160353267 386428803 /nfs/dbraw/zinc/42/88/03/386428803.db2.gz AGZYJQGSDSDDBT-VIFPVBQESA-N 1 2 212.293 0.233 20 70 BCIDLO C[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000159624370 323040653 /nfs/dbraw/zinc/04/06/53/323040653.db2.gz VIGOIIJYXAGKQC-SNVBAGLBSA-N 1 2 244.298 0.655 20 70 BCIDLO CN1CC[C@@H](SCC[NH+]2CCOCC2)C1=O ZINC000159889989 323052281 /nfs/dbraw/zinc/05/22/81/323052281.db2.gz UTFLPHIEKASHFW-SNVBAGLBSA-N 1 2 244.360 0.283 20 70 BCIDLO COCCC[N@H+](CCOC)Cc1nccn1C ZINC000160825808 323136705 /nfs/dbraw/zinc/13/67/05/323136705.db2.gz XBBOBZMWFDWDJH-UHFFFAOYSA-N 1 2 241.335 0.905 20 70 BCIDLO COCCC[N@@H+](CCOC)Cc1nccn1C ZINC000160825808 323136706 /nfs/dbraw/zinc/13/67/06/323136706.db2.gz XBBOBZMWFDWDJH-UHFFFAOYSA-N 1 2 241.335 0.905 20 70 BCIDLO Cn1ncnc1C[N@@H+]1CCCSCC1 ZINC000161488759 398284952 /nfs/dbraw/zinc/28/49/52/398284952.db2.gz FIBJTWSREQTPHP-UHFFFAOYSA-N 1 2 212.322 0.754 20 70 BCIDLO Cn1ncnc1C[N@H+]1CCCSCC1 ZINC000161488759 398284954 /nfs/dbraw/zinc/28/49/54/398284954.db2.gz FIBJTWSREQTPHP-UHFFFAOYSA-N 1 2 212.322 0.754 20 70 BCIDLO CC(=O)Nc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000160494272 187301802 /nfs/dbraw/zinc/30/18/02/187301802.db2.gz BZYJEJOEMCWFJX-UHFFFAOYSA-N 1 2 247.298 0.577 20 70 BCIDLO CC(=O)Nc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000160494272 187301801 /nfs/dbraw/zinc/30/18/01/187301801.db2.gz BZYJEJOEMCWFJX-UHFFFAOYSA-N 1 2 247.298 0.577 20 70 BCIDLO [NH3+]CCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000159503021 345440642 /nfs/dbraw/zinc/44/06/42/345440642.db2.gz RMVQSKUYXBNBDR-UHFFFAOYSA-N 1 2 231.259 0.759 20 70 BCIDLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000160248430 345845519 /nfs/dbraw/zinc/84/55/19/345845519.db2.gz MFCVHEJNDWOIIW-DTWKUNHWSA-N 1 2 224.308 0.570 20 70 BCIDLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000160248430 345845522 /nfs/dbraw/zinc/84/55/22/345845522.db2.gz MFCVHEJNDWOIIW-DTWKUNHWSA-N 1 2 224.308 0.570 20 70 BCIDLO CCc1nnc(C[N@H+](C)CCCC(=O)NC)[nH]1 ZINC000159489773 346422702 /nfs/dbraw/zinc/42/27/02/346422702.db2.gz CJCZPEQWJIITGC-UHFFFAOYSA-N 1 2 239.323 0.325 20 70 BCIDLO CCc1nnc(C[N@@H+](C)CCCC(=O)NC)[nH]1 ZINC000159489773 346422704 /nfs/dbraw/zinc/42/27/04/346422704.db2.gz CJCZPEQWJIITGC-UHFFFAOYSA-N 1 2 239.323 0.325 20 70 BCIDLO COC(=O)[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000160511991 349018694 /nfs/dbraw/zinc/01/86/94/349018694.db2.gz PDNUJNKDVUMGRF-LLVKDONJSA-N 1 2 243.303 0.287 20 70 BCIDLO COC(=O)[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000160511991 349018696 /nfs/dbraw/zinc/01/86/96/349018696.db2.gz PDNUJNKDVUMGRF-LLVKDONJSA-N 1 2 243.303 0.287 20 70 BCIDLO CCn1cc[nH+]c1CN1CCNC(=O)CC1 ZINC000160864369 349332301 /nfs/dbraw/zinc/33/23/01/349332301.db2.gz QLFFMAJMEYVPPP-UHFFFAOYSA-N 1 2 222.292 0.225 20 70 BCIDLO CCCNC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161076702 351025994 /nfs/dbraw/zinc/02/59/94/351025994.db2.gz DLBPSFQOBAWMPF-UHFFFAOYSA-N 1 2 238.335 0.768 20 70 BCIDLO CCCNC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161076702 351025997 /nfs/dbraw/zinc/02/59/97/351025997.db2.gz DLBPSFQOBAWMPF-UHFFFAOYSA-N 1 2 238.335 0.768 20 70 BCIDLO CSCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161137407 363120133 /nfs/dbraw/zinc/12/01/33/363120133.db2.gz ASMVREMUKFMPGQ-SECBINFHSA-N 1 2 239.344 0.925 20 70 BCIDLO COc1ccc[nH+]c1N1CC[C@H](CO)C1 ZINC000160308144 355870715 /nfs/dbraw/zinc/87/07/15/355870715.db2.gz BKYPVJOFFSIUQQ-VIFPVBQESA-N 1 2 208.261 0.909 20 70 BCIDLO Cn1cc[nH+]c1CN(CC(N)=O)C1CCCC1 ZINC000160792614 358609775 /nfs/dbraw/zinc/60/97/75/358609775.db2.gz AUZIFNJJWHPSFA-UHFFFAOYSA-N 1 2 236.319 0.650 20 70 BCIDLO Cn1ccnc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000160792614 358609778 /nfs/dbraw/zinc/60/97/78/358609778.db2.gz AUZIFNJJWHPSFA-UHFFFAOYSA-N 1 2 236.319 0.650 20 70 BCIDLO Cn1ccnc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000160792614 358609782 /nfs/dbraw/zinc/60/97/82/358609782.db2.gz AUZIFNJJWHPSFA-UHFFFAOYSA-N 1 2 236.319 0.650 20 70 BCIDLO C[C@H](CO)Sc1[nH+]cnc2c1cnn2C ZINC000160954999 361333490 /nfs/dbraw/zinc/33/34/90/361333490.db2.gz ZRRBRGZDEOOTTN-ZCFIWIBFSA-N 1 2 224.289 0.836 20 70 BCIDLO C[C@@H](CO)Sc1[nH+]cnc2c1cnn2C ZINC000160954901 361334140 /nfs/dbraw/zinc/33/41/40/361334140.db2.gz ZRRBRGZDEOOTTN-LURJTMIESA-N 1 2 224.289 0.836 20 70 BCIDLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000160940185 182177296 /nfs/dbraw/zinc/17/72/96/182177296.db2.gz XGFSFAKNNCZHLC-NSHDSACASA-N 1 2 237.303 0.959 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000159430198 384142988 /nfs/dbraw/zinc/14/29/88/384142988.db2.gz CZFGTKCVXQCIBK-ZJUUUORDSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000159430198 384142995 /nfs/dbraw/zinc/14/29/95/384142995.db2.gz CZFGTKCVXQCIBK-ZJUUUORDSA-N 1 2 238.335 0.960 20 70 BCIDLO C[C@@H](C(N)=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161189460 384472549 /nfs/dbraw/zinc/47/25/49/384472549.db2.gz JYLDJENIQPYDJO-NSHDSACASA-N 1 2 248.330 0.073 20 70 BCIDLO C[C@@H](C(N)=O)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161189460 384472558 /nfs/dbraw/zinc/47/25/58/384472558.db2.gz JYLDJENIQPYDJO-NSHDSACASA-N 1 2 248.330 0.073 20 70 BCIDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159552397 385617068 /nfs/dbraw/zinc/61/70/68/385617068.db2.gz AZJXBGLGRACADS-UWVGGRQHSA-N 1 2 224.308 0.408 20 70 BCIDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159552397 385617074 /nfs/dbraw/zinc/61/70/74/385617074.db2.gz AZJXBGLGRACADS-UWVGGRQHSA-N 1 2 224.308 0.408 20 70 BCIDLO Cn1nccc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000217008326 385679550 /nfs/dbraw/zinc/67/95/50/385679550.db2.gz YJIJPXRSUUBNBO-IHWYPQMZSA-N 1 2 231.259 0.473 20 70 BCIDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1csnn1 ZINC000159664073 385708230 /nfs/dbraw/zinc/70/82/30/385708230.db2.gz ORAZCGDTJWTBIL-YUMQZZPRSA-N 1 2 240.332 0.624 20 70 BCIDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1csnn1 ZINC000159664073 385708234 /nfs/dbraw/zinc/70/82/34/385708234.db2.gz ORAZCGDTJWTBIL-YUMQZZPRSA-N 1 2 240.332 0.624 20 70 BCIDLO CCc1nnc(SCCn2cc[nH+]c2)n1N ZINC000160160216 172062166 /nfs/dbraw/zinc/06/21/66/172062166.db2.gz JIJYLMKKPVZHQC-UHFFFAOYSA-N 1 2 238.320 0.543 20 70 BCIDLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156195 176302472 /nfs/dbraw/zinc/30/24/72/176302472.db2.gz GRFOOQRLNLQXMG-SECBINFHSA-N 1 2 211.261 0.993 20 70 BCIDLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156195 176302474 /nfs/dbraw/zinc/30/24/74/176302474.db2.gz GRFOOQRLNLQXMG-SECBINFHSA-N 1 2 211.261 0.993 20 70 BCIDLO CCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000159799737 323048936 /nfs/dbraw/zinc/04/89/36/323048936.db2.gz JCGILDXEJSEHPB-UHFFFAOYSA-N 1 2 246.376 0.578 20 70 BCIDLO Cn1cnnc1CSCC[NH+]1CCOCC1 ZINC000160031665 323058160 /nfs/dbraw/zinc/05/81/60/323058160.db2.gz HWJCAHSTZMJJDD-UHFFFAOYSA-N 1 2 242.348 0.381 20 70 BCIDLO COc1ccc[nH+]c1NCCS(C)(=O)=O ZINC000160212003 323064168 /nfs/dbraw/zinc/06/41/68/323064168.db2.gz UQWGROHKXYHVCZ-UHFFFAOYSA-N 1 2 230.289 0.547 20 70 BCIDLO CNC(=O)CCNc1[nH+]cccc1OC ZINC000160222995 323064260 /nfs/dbraw/zinc/06/42/60/323064260.db2.gz ZFAXKWOJNJIZGA-UHFFFAOYSA-N 1 2 209.249 0.638 20 70 BCIDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)ncn1 ZINC000161162110 323149594 /nfs/dbraw/zinc/14/95/94/323149594.db2.gz IYHROIHSKKDOQT-UHFFFAOYSA-N 1 2 245.286 0.802 20 70 BCIDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC(O)C1 ZINC000161426971 323513045 /nfs/dbraw/zinc/51/30/45/323513045.db2.gz NWQSJQOZNNWCTD-UHFFFAOYSA-N 1 2 243.266 0.689 20 70 BCIDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCCS(C)(=O)=O ZINC000161388789 538915433 /nfs/dbraw/zinc/91/54/33/538915433.db2.gz FIPBLVSKAXCEAW-MNOVXSKESA-N 1 2 249.376 0.920 20 70 BCIDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCCCS(C)(=O)=O ZINC000161388789 538915435 /nfs/dbraw/zinc/91/54/35/538915435.db2.gz FIPBLVSKAXCEAW-MNOVXSKESA-N 1 2 249.376 0.920 20 70 BCIDLO C(c1nnnn1C1CC1)[N@@H+]1CCCSCC1 ZINC000161477521 349458809 /nfs/dbraw/zinc/45/88/09/349458809.db2.gz HBWOCZBYNGUDMU-UHFFFAOYSA-N 1 2 239.348 0.947 20 70 BCIDLO C(c1nnnn1C1CC1)[N@H+]1CCCSCC1 ZINC000161477521 349458812 /nfs/dbraw/zinc/45/88/12/349458812.db2.gz HBWOCZBYNGUDMU-UHFFFAOYSA-N 1 2 239.348 0.947 20 70 BCIDLO Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000159565363 398184784 /nfs/dbraw/zinc/18/47/84/398184784.db2.gz VFEWCKWUBHWCQP-UWVGGRQHSA-N 1 2 225.292 0.971 20 70 BCIDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000159565363 398184785 /nfs/dbraw/zinc/18/47/85/398184785.db2.gz VFEWCKWUBHWCQP-UWVGGRQHSA-N 1 2 225.292 0.971 20 70 BCIDLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000159550541 343202338 /nfs/dbraw/zinc/20/23/38/343202338.db2.gz DQFGRMMGCXTMAV-RNJXMRFFSA-N 1 2 201.266 0.297 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)[nH]1 ZINC000159442501 345436001 /nfs/dbraw/zinc/43/60/01/345436001.db2.gz STXKMFUYFXRSMM-ZJUUUORDSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)[nH]1 ZINC000159442501 345436004 /nfs/dbraw/zinc/43/60/04/345436004.db2.gz STXKMFUYFXRSMM-ZJUUUORDSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)[nH]1 ZINC000159531918 345441455 /nfs/dbraw/zinc/44/14/55/345441455.db2.gz WUYKKFJKDSEGSX-ZJUUUORDSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)[nH]1 ZINC000159531918 345441457 /nfs/dbraw/zinc/44/14/57/345441457.db2.gz WUYKKFJKDSEGSX-ZJUUUORDSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000160248575 345845709 /nfs/dbraw/zinc/84/57/09/345845709.db2.gz MFCVHEJNDWOIIW-RKDXNWHRSA-N 1 2 224.308 0.570 20 70 BCIDLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000160248575 345845711 /nfs/dbraw/zinc/84/57/11/345845711.db2.gz MFCVHEJNDWOIIW-RKDXNWHRSA-N 1 2 224.308 0.570 20 70 BCIDLO CCc1nnc(CN(C)Cc2[nH+]ccn2C)[nH]1 ZINC000159586979 346425899 /nfs/dbraw/zinc/42/58/99/346425899.db2.gz FVTKEHWEPJGVNT-UHFFFAOYSA-N 1 2 234.307 0.733 20 70 BCIDLO COCCC[N@H+](CCOC)Cc1nncn1C ZINC000160825938 323136690 /nfs/dbraw/zinc/13/66/90/323136690.db2.gz LSRADQUNPARYTJ-UHFFFAOYSA-N 1 2 242.323 0.300 20 70 BCIDLO COCCC[N@@H+](CCOC)Cc1nncn1C ZINC000160825938 323136691 /nfs/dbraw/zinc/13/66/91/323136691.db2.gz LSRADQUNPARYTJ-UHFFFAOYSA-N 1 2 242.323 0.300 20 70 BCIDLO CC[N@H+](CC(=O)NC1CC1)Cc1cnn(C)c1 ZINC000161082115 385919503 /nfs/dbraw/zinc/91/95/03/385919503.db2.gz QVLWXDBDCQZCSN-UHFFFAOYSA-N 1 2 236.319 0.521 20 70 BCIDLO CC[N@@H+](CC(=O)NC1CC1)Cc1cnn(C)c1 ZINC000161082115 385919509 /nfs/dbraw/zinc/91/95/09/385919509.db2.gz QVLWXDBDCQZCSN-UHFFFAOYSA-N 1 2 236.319 0.521 20 70 BCIDLO Cc1cc(N[C@H]2CCN(C)C2=O)nc[nH+]1 ZINC000217495774 134246994 /nfs/dbraw/zinc/24/69/94/134246994.db2.gz WQOCWSAADHCOQT-QMMMGPOBSA-N 1 2 206.249 0.428 20 70 BCIDLO CCn1nccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160334398 172266960 /nfs/dbraw/zinc/26/69/60/172266960.db2.gz JEFRDQHEFHMQIT-SNVBAGLBSA-N 1 2 222.292 0.353 20 70 BCIDLO CCn1nccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000160334398 172266964 /nfs/dbraw/zinc/26/69/64/172266964.db2.gz JEFRDQHEFHMQIT-SNVBAGLBSA-N 1 2 222.292 0.353 20 70 BCIDLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161160482 173303838 /nfs/dbraw/zinc/30/38/38/173303838.db2.gz XYDANRMPIUCFFF-BQBZGAKWSA-N 1 2 213.306 0.928 20 70 BCIDLO C[C@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156310 177261495 /nfs/dbraw/zinc/26/14/95/177261495.db2.gz GRFOOQRLNLQXMG-VIFPVBQESA-N 1 2 211.261 0.993 20 70 BCIDLO C[C@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156310 177261497 /nfs/dbraw/zinc/26/14/97/177261497.db2.gz GRFOOQRLNLQXMG-VIFPVBQESA-N 1 2 211.261 0.993 20 70 BCIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000159845725 323050721 /nfs/dbraw/zinc/05/07/21/323050721.db2.gz JUMRIQBFLQBERP-NSHDSACASA-N 1 2 244.298 0.784 20 70 BCIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000159845725 323050722 /nfs/dbraw/zinc/05/07/22/323050722.db2.gz JUMRIQBFLQBERP-NSHDSACASA-N 1 2 244.298 0.784 20 70 BCIDLO COC[C@H](O)CNc1[nH+]cccc1OC ZINC000160238918 323064392 /nfs/dbraw/zinc/06/43/92/323064392.db2.gz DWUUGLJTNIPRCX-MRVPVSSYSA-N 1 2 212.249 0.509 20 70 BCIDLO CCNC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000161140804 538914226 /nfs/dbraw/zinc/91/42/26/538914226.db2.gz DYXPGXLVLPGLOC-SSDOTTSWSA-N 1 2 213.306 0.930 20 70 BCIDLO Cc1nnc(CSCC[NH+]2CCOCC2)o1 ZINC000159844172 345561888 /nfs/dbraw/zinc/56/18/88/345561888.db2.gz JZRRHJDYYMLFCK-UHFFFAOYSA-N 1 2 243.332 0.943 20 70 BCIDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000217632499 345744157 /nfs/dbraw/zinc/74/41/57/345744157.db2.gz XFKFIQNJFPSTRJ-SECBINFHSA-N 1 2 246.357 0.762 20 70 BCIDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000217632499 345744158 /nfs/dbraw/zinc/74/41/58/345744158.db2.gz XFKFIQNJFPSTRJ-SECBINFHSA-N 1 2 246.357 0.762 20 70 BCIDLO Cc1noc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000160095703 345797081 /nfs/dbraw/zinc/79/70/81/345797081.db2.gz WBASQLAWPAZQFS-MRVPVSSYSA-N 1 2 247.258 0.776 20 70 BCIDLO COC(=O)[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000160511874 349016947 /nfs/dbraw/zinc/01/69/47/349016947.db2.gz PDNUJNKDVUMGRF-NSHDSACASA-N 1 2 243.303 0.287 20 70 BCIDLO COC(=O)[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000160511874 349016953 /nfs/dbraw/zinc/01/69/53/349016953.db2.gz PDNUJNKDVUMGRF-NSHDSACASA-N 1 2 243.303 0.287 20 70 BCIDLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)nn1 ZINC000159862154 351014971 /nfs/dbraw/zinc/01/49/71/351014971.db2.gz IMSIACRSEXVFMI-UHFFFAOYSA-N 1 2 233.231 0.138 20 70 BCIDLO CC1(C)C[N@H+](CCCCS(C)(=O)=O)CCO1 ZINC000161437300 538111624 /nfs/dbraw/zinc/11/16/24/538111624.db2.gz LERSEXCGQOJTPK-UHFFFAOYSA-N 1 2 249.376 0.922 20 70 BCIDLO CC1(C)C[N@@H+](CCCCS(C)(=O)=O)CCO1 ZINC000161437300 538111625 /nfs/dbraw/zinc/11/16/25/538111625.db2.gz LERSEXCGQOJTPK-UHFFFAOYSA-N 1 2 249.376 0.922 20 70 BCIDLO CCc1cc(=O)[nH]c(C[N@H+](CCO)C2CC2)n1 ZINC000160856119 384443554 /nfs/dbraw/zinc/44/35/54/384443554.db2.gz IHJIOSSYGCVJQM-UHFFFAOYSA-N 1 2 237.303 0.701 20 70 BCIDLO CCc1cc(=O)[nH]c(C[N@@H+](CCO)C2CC2)n1 ZINC000160856119 384443558 /nfs/dbraw/zinc/44/35/58/384443558.db2.gz IHJIOSSYGCVJQM-UHFFFAOYSA-N 1 2 237.303 0.701 20 70 BCIDLO CCCCN(CC(N)=O)c1cc[nH+]c(C)n1 ZINC000161248298 384476116 /nfs/dbraw/zinc/47/61/16/384476116.db2.gz GOSXKNQCXUAYIC-UHFFFAOYSA-N 1 2 222.292 0.877 20 70 BCIDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csnn1 ZINC000159664364 385707891 /nfs/dbraw/zinc/70/78/91/385707891.db2.gz ORAZCGDTJWTBIL-JGVFFNPUSA-N 1 2 240.332 0.624 20 70 BCIDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1csnn1 ZINC000159664364 385707898 /nfs/dbraw/zinc/70/78/98/385707898.db2.gz ORAZCGDTJWTBIL-JGVFFNPUSA-N 1 2 240.332 0.624 20 70 BCIDLO CNC(=O)C(C)(C)CNc1cc[nH+]c(C)n1 ZINC000161064215 173220781 /nfs/dbraw/zinc/22/07/81/173220781.db2.gz UBXAMTVHVRINPH-UHFFFAOYSA-N 1 2 222.292 0.969 20 70 BCIDLO C[C@@H]1C[N@H+](CCCCS(C)(=O)=O)[C@H](C)CO1 ZINC000161388649 538915282 /nfs/dbraw/zinc/91/52/82/538915282.db2.gz FIPBLVSKAXCEAW-GHMZBOCLSA-N 1 2 249.376 0.920 20 70 BCIDLO C[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)[C@H](C)CO1 ZINC000161388649 538915283 /nfs/dbraw/zinc/91/52/83/538915283.db2.gz FIPBLVSKAXCEAW-GHMZBOCLSA-N 1 2 249.376 0.920 20 70 BCIDLO CCCn1c(C)nnc1C[N@H+](C)C[C@H](C)O ZINC000159554047 345440525 /nfs/dbraw/zinc/44/05/25/345440525.db2.gz JZDIBGCTTKPBBC-VIFPVBQESA-N 1 2 226.324 0.809 20 70 BCIDLO CCCn1c(C)nnc1C[N@@H+](C)C[C@H](C)O ZINC000159554047 345440527 /nfs/dbraw/zinc/44/05/27/345440527.db2.gz JZDIBGCTTKPBBC-VIFPVBQESA-N 1 2 226.324 0.809 20 70 BCIDLO CCc1nsc(N2CC[NH+](C)CC2)n1 ZINC000218574080 345745214 /nfs/dbraw/zinc/74/52/14/345745214.db2.gz FYCSGQPWJHOWEG-UHFFFAOYSA-N 1 2 212.322 0.852 20 70 BCIDLO CCN(C)C(=O)C[NH2+]Cc1nccs1 ZINC000217470180 490441941 /nfs/dbraw/zinc/44/19/41/490441941.db2.gz RWJQGQTWBXDNKN-UHFFFAOYSA-N 1 2 213.306 0.711 20 70 BCIDLO CCc1nnc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000160718115 353268800 /nfs/dbraw/zinc/26/88/00/353268800.db2.gz DCOIVCQTFBHQRP-BDAKNGLRSA-N 1 2 224.308 0.570 20 70 BCIDLO CCc1nnc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000160718115 353268802 /nfs/dbraw/zinc/26/88/02/353268802.db2.gz DCOIVCQTFBHQRP-BDAKNGLRSA-N 1 2 224.308 0.570 20 70 BCIDLO O=C(NCCCn1cc[nH+]c1)C(F)F ZINC000217607460 182176665 /nfs/dbraw/zinc/17/66/65/182176665.db2.gz MJGITBFZFHQNEH-UHFFFAOYSA-N 1 2 203.192 0.655 20 70 BCIDLO O=C1C[N@H+](Cc2ccc3c[nH]nc3c2)CCN1 ZINC000160489302 384415204 /nfs/dbraw/zinc/41/52/04/384415204.db2.gz NOLBHZJPDHIYJI-UHFFFAOYSA-N 1 2 230.271 0.495 20 70 BCIDLO O=C1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCN1 ZINC000160489302 384415208 /nfs/dbraw/zinc/41/52/08/384415208.db2.gz NOLBHZJPDHIYJI-UHFFFAOYSA-N 1 2 230.271 0.495 20 70 BCIDLO C[C@H]1OCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000160616268 384422378 /nfs/dbraw/zinc/42/23/78/384422378.db2.gz NSQDZUYQFYVOLN-ZJUUUORDSA-N 1 2 238.291 0.360 20 70 BCIDLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C2)n1 ZINC000160489474 387078906 /nfs/dbraw/zinc/07/89/06/387078906.db2.gz QONDTQWJZSHFSP-UHFFFAOYSA-N 1 2 221.260 0.027 20 70 BCIDLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)C2)n1 ZINC000160489474 387078916 /nfs/dbraw/zinc/07/89/16/387078916.db2.gz QONDTQWJZSHFSP-UHFFFAOYSA-N 1 2 221.260 0.027 20 70 BCIDLO CCc1cc(=O)[nH]c(Cn2cc[nH+]c2)n1 ZINC000160612953 388078495 /nfs/dbraw/zinc/07/84/95/388078495.db2.gz DINOUQWWHBALON-UHFFFAOYSA-N 1 2 204.233 0.989 20 70 BCIDLO CCn1nccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000160334513 172266054 /nfs/dbraw/zinc/26/60/54/172266054.db2.gz JEFRDQHEFHMQIT-JTQLQIEISA-N 1 2 222.292 0.353 20 70 BCIDLO CCn1nccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000160334513 172266056 /nfs/dbraw/zinc/26/60/56/172266056.db2.gz JEFRDQHEFHMQIT-JTQLQIEISA-N 1 2 222.292 0.353 20 70 BCIDLO Cn1cnnc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159603326 323040266 /nfs/dbraw/zinc/04/02/66/323040266.db2.gz KJOUEPPRFKMOSR-ZJUUUORDSA-N 1 2 224.308 0.408 20 70 BCIDLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159603326 323040267 /nfs/dbraw/zinc/04/02/67/323040267.db2.gz KJOUEPPRFKMOSR-ZJUUUORDSA-N 1 2 224.308 0.408 20 70 BCIDLO CC(C)CN(CC(N)=O)Cc1[nH+]ccn1C ZINC000160759671 517419243 /nfs/dbraw/zinc/41/92/43/517419243.db2.gz AOEFSNCRMBUJKC-UHFFFAOYSA-N 1 2 224.308 0.363 20 70 BCIDLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000160290054 535626892 /nfs/dbraw/zinc/62/68/92/535626892.db2.gz AMVBDNGUUAEDDI-WPRPVWTQSA-N 1 2 228.292 0.148 20 70 BCIDLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000160290054 535626894 /nfs/dbraw/zinc/62/68/94/535626894.db2.gz AMVBDNGUUAEDDI-WPRPVWTQSA-N 1 2 228.292 0.148 20 70 BCIDLO CCCCN(CC(N)=O)Cc1[nH+]ccn1C ZINC000160786721 323135397 /nfs/dbraw/zinc/13/53/97/323135397.db2.gz NENYNUWPBZYOTA-UHFFFAOYSA-N 1 2 224.308 0.508 20 70 BCIDLO COc1ccc[nH+]c1NCCOCCO ZINC000160230766 490377237 /nfs/dbraw/zinc/37/72/37/490377237.db2.gz JAAQJXOEJQVYHN-UHFFFAOYSA-N 1 2 212.249 0.511 20 70 BCIDLO C[C@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000160443577 538111559 /nfs/dbraw/zinc/11/15/59/538111559.db2.gz STQXXNWUGPJPLV-JTQLQIEISA-N 1 2 225.292 0.408 20 70 BCIDLO C[C@@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC000160443702 538111564 /nfs/dbraw/zinc/11/15/64/538111564.db2.gz STQXXNWUGPJPLV-SNVBAGLBSA-N 1 2 225.292 0.408 20 70 BCIDLO O=C(NCC[NH+]1CCOCC1)NC1CC=CC1 ZINC000160290791 538884207 /nfs/dbraw/zinc/88/42/07/538884207.db2.gz FMWXLRANRUMGGF-UHFFFAOYSA-N 1 2 239.319 0.336 20 70 BCIDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218203948 134252620 /nfs/dbraw/zinc/25/26/20/134252620.db2.gz FKRQZEYHVLNNHR-RKDXNWHRSA-N 1 2 229.276 0.433 20 70 BCIDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218203948 134252621 /nfs/dbraw/zinc/25/26/21/134252621.db2.gz FKRQZEYHVLNNHR-RKDXNWHRSA-N 1 2 229.276 0.433 20 70 BCIDLO C[N@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000159819224 384510239 /nfs/dbraw/zinc/51/02/39/384510239.db2.gz ITJJAHRYFOVFTQ-UHFFFAOYSA-N 1 2 212.224 0.448 20 70 BCIDLO C[N@@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000159819224 384510245 /nfs/dbraw/zinc/51/02/45/384510245.db2.gz ITJJAHRYFOVFTQ-UHFFFAOYSA-N 1 2 212.224 0.448 20 70 BCIDLO Cn1cc(/C=C\C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000217009922 592092752 /nfs/dbraw/zinc/09/27/52/592092752.db2.gz JBNOATXGUBMGFK-IHWYPQMZSA-N 1 2 231.259 0.473 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCOCC[C@@H]2C)[nH]1 ZINC000160535183 349119146 /nfs/dbraw/zinc/11/91/46/349119146.db2.gz NGOLQSODXJRWGQ-VIFPVBQESA-N 1 2 224.308 0.978 20 70 BCIDLO CCc1nnc(C[N@H+]2CCOCC[C@@H]2C)[nH]1 ZINC000160535183 349119148 /nfs/dbraw/zinc/11/91/48/349119148.db2.gz NGOLQSODXJRWGQ-VIFPVBQESA-N 1 2 224.308 0.978 20 70 BCIDLO CSCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161137531 363120175 /nfs/dbraw/zinc/12/01/75/363120175.db2.gz ASMVREMUKFMPGQ-VIFPVBQESA-N 1 2 239.344 0.925 20 70 BCIDLO CCn1cc[nH+]c1CN1CCN(C(C)=O)CC1 ZINC000160673479 357168153 /nfs/dbraw/zinc/16/81/53/357168153.db2.gz XDRPTRBDJAALLU-UHFFFAOYSA-N 1 2 236.319 0.567 20 70 BCIDLO Cn1cc[nH+]c1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000160760877 358434964 /nfs/dbraw/zinc/43/49/64/358434964.db2.gz XEGYPYKGXRGKOP-LLVKDONJSA-N 1 2 248.330 0.663 20 70 BCIDLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000160760877 358434968 /nfs/dbraw/zinc/43/49/68/358434968.db2.gz XEGYPYKGXRGKOP-LLVKDONJSA-N 1 2 248.330 0.663 20 70 BCIDLO Cn1ccnc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000160760877 358434972 /nfs/dbraw/zinc/43/49/72/358434972.db2.gz XEGYPYKGXRGKOP-LLVKDONJSA-N 1 2 248.330 0.663 20 70 BCIDLO COC(=O)C(C)(C)[NH2+]CCOCC1CC1 ZINC000159528304 384442615 /nfs/dbraw/zinc/44/26/15/384442615.db2.gz LLKNYMBGBMACQG-UHFFFAOYSA-N 1 2 215.293 0.954 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000160196110 384654784 /nfs/dbraw/zinc/65/47/84/384654784.db2.gz YIMJVKWBLUUDLP-LLVKDONJSA-N 1 2 224.308 0.714 20 70 BCIDLO CCc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000160196110 384654789 /nfs/dbraw/zinc/65/47/89/384654789.db2.gz YIMJVKWBLUUDLP-LLVKDONJSA-N 1 2 224.308 0.714 20 70 BCIDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159552515 385615727 /nfs/dbraw/zinc/61/57/27/385615727.db2.gz AZJXBGLGRACADS-ZJUUUORDSA-N 1 2 224.308 0.408 20 70 BCIDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159552515 385615732 /nfs/dbraw/zinc/61/57/32/385615732.db2.gz AZJXBGLGRACADS-ZJUUUORDSA-N 1 2 224.308 0.408 20 70 BCIDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csnn1 ZINC000159664204 385708815 /nfs/dbraw/zinc/70/88/15/385708815.db2.gz ORAZCGDTJWTBIL-HTQZYQBOSA-N 1 2 240.332 0.624 20 70 BCIDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1csnn1 ZINC000159664204 385708818 /nfs/dbraw/zinc/70/88/18/385708818.db2.gz ORAZCGDTJWTBIL-HTQZYQBOSA-N 1 2 240.332 0.624 20 70 BCIDLO CCCn1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000160335078 387083646 /nfs/dbraw/zinc/08/36/46/387083646.db2.gz YGJDSNZACBNBCH-NSHDSACASA-N 1 2 236.319 0.743 20 70 BCIDLO CCCn1cc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000160335078 387083651 /nfs/dbraw/zinc/08/36/51/387083651.db2.gz YGJDSNZACBNBCH-NSHDSACASA-N 1 2 236.319 0.743 20 70 BCIDLO CC[C@H]1C(=O)NCCN1c1cc[nH+]c(C)n1 ZINC000160413858 387727587 /nfs/dbraw/zinc/72/75/87/387727587.db2.gz NDTGFQWQOAKJSF-VIFPVBQESA-N 1 2 220.276 0.500 20 70 BCIDLO COC[C@@](C)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000159551447 388021479 /nfs/dbraw/zinc/02/14/79/388021479.db2.gz CAYFNCWNZYGVSA-LLVKDONJSA-N 1 2 233.308 0.315 20 70 BCIDLO CNC(=O)C(C)(C)CNc1cc(C)[nH+]cn1 ZINC000161091879 173219832 /nfs/dbraw/zinc/21/98/32/173219832.db2.gz OBCPRRLNHMEFNB-UHFFFAOYSA-N 1 2 222.292 0.969 20 70 BCIDLO COc1ccc[nH+]c1NC[C@@H]1COCCO1 ZINC000160213319 323064200 /nfs/dbraw/zinc/06/42/00/323064200.db2.gz IISVKCGLOXZPSI-SECBINFHSA-N 1 2 224.260 0.918 20 70 BCIDLO C[C@H]([NH2+]CCNS(C)(=O)=O)c1cscn1 ZINC000161174229 538914654 /nfs/dbraw/zinc/91/46/54/538914654.db2.gz JYYKXDGCUGZDSN-ZETCQYMHSA-N 1 2 249.361 0.343 20 70 BCIDLO COC(=O)C1([N@H+](C)CC(=O)N(C)C)CCCC1 ZINC000159373335 345428404 /nfs/dbraw/zinc/42/84/04/345428404.db2.gz HLLAUKATMOCDQO-UHFFFAOYSA-N 1 2 242.319 0.492 20 70 BCIDLO COC(=O)C1([N@@H+](C)CC(=O)N(C)C)CCCC1 ZINC000159373335 345428407 /nfs/dbraw/zinc/42/84/07/345428407.db2.gz HLLAUKATMOCDQO-UHFFFAOYSA-N 1 2 242.319 0.492 20 70 BCIDLO Cc1cc(NCCn2ccnn2)nc[nH+]1 ZINC000159627028 345450595 /nfs/dbraw/zinc/45/05/95/345450595.db2.gz CNBSXZDMTLJFHQ-UHFFFAOYSA-N 1 2 204.237 0.489 20 70 BCIDLO Cc1noc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000160095815 345797289 /nfs/dbraw/zinc/79/72/89/345797289.db2.gz WBASQLAWPAZQFS-QMMMGPOBSA-N 1 2 247.258 0.776 20 70 BCIDLO CCOCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160411546 348182024 /nfs/dbraw/zinc/18/20/24/348182024.db2.gz SQNSJFGJQLICIH-LLVKDONJSA-N 1 2 242.319 0.002 20 70 BCIDLO CCOCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160411546 348182026 /nfs/dbraw/zinc/18/20/26/348182026.db2.gz SQNSJFGJQLICIH-LLVKDONJSA-N 1 2 242.319 0.002 20 70 BCIDLO CCNC(=O)CNc1[nH+]cccc1OC ZINC000160209912 353693339 /nfs/dbraw/zinc/69/33/39/353693339.db2.gz JWVGHDADARMOPL-UHFFFAOYSA-N 1 2 209.249 0.638 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000159430331 384143213 /nfs/dbraw/zinc/14/32/13/384143213.db2.gz CZFGTKCVXQCIBK-NXEZZACHSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000159430331 384143223 /nfs/dbraw/zinc/14/32/23/384143223.db2.gz CZFGTKCVXQCIBK-NXEZZACHSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000160196240 384656503 /nfs/dbraw/zinc/65/65/03/384656503.db2.gz YIMJVKWBLUUDLP-NSHDSACASA-N 1 2 224.308 0.714 20 70 BCIDLO CCc1nnc(C[N@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000160196240 384656510 /nfs/dbraw/zinc/65/65/10/384656510.db2.gz YIMJVKWBLUUDLP-NSHDSACASA-N 1 2 224.308 0.714 20 70 BCIDLO CCn1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000160318310 323064778 /nfs/dbraw/zinc/06/47/78/323064778.db2.gz ZYGMEGSATZMQFC-SNVBAGLBSA-N 1 2 222.292 0.353 20 70 BCIDLO CCn1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000160318310 323064779 /nfs/dbraw/zinc/06/47/79/323064779.db2.gz ZYGMEGSATZMQFC-SNVBAGLBSA-N 1 2 222.292 0.353 20 70 BCIDLO COC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000218185860 592153281 /nfs/dbraw/zinc/15/32/81/592153281.db2.gz TUBPQPMDOMKCOJ-UHFFFAOYSA-N 1 2 233.227 0.237 20 70 BCIDLO CCNC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000161140697 538914541 /nfs/dbraw/zinc/91/45/41/538914541.db2.gz DYXPGXLVLPGLOC-ZETCQYMHSA-N 1 2 213.306 0.930 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)[nH]1 ZINC000159442354 345435917 /nfs/dbraw/zinc/43/59/17/345435917.db2.gz STXKMFUYFXRSMM-UWVGGRQHSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)[nH]1 ZINC000159442354 345435920 /nfs/dbraw/zinc/43/59/20/345435920.db2.gz STXKMFUYFXRSMM-UWVGGRQHSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)[nH]1 ZINC000159531772 345441490 /nfs/dbraw/zinc/44/14/90/345441490.db2.gz WUYKKFJKDSEGSX-UWVGGRQHSA-N 1 2 238.335 0.960 20 70 BCIDLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)[nH]1 ZINC000159531772 345441492 /nfs/dbraw/zinc/44/14/92/345441492.db2.gz WUYKKFJKDSEGSX-UWVGGRQHSA-N 1 2 238.335 0.960 20 70 BCIDLO CCN(C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160559885 357065821 /nfs/dbraw/zinc/06/58/21/357065821.db2.gz MFVQYUHIEQZRJJ-NSHDSACASA-N 1 2 241.335 0.465 20 70 BCIDLO O=C(NCCn1cc[nH+]c1)NC1CC=CC1 ZINC000160291975 538884198 /nfs/dbraw/zinc/88/41/98/538884198.db2.gz SMCQUKBEDLQSFQ-UHFFFAOYSA-N 1 2 220.276 0.901 20 70 BCIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(N)=O ZINC000159887981 384367111 /nfs/dbraw/zinc/36/71/11/384367111.db2.gz HPXGBCCUXPGCSG-SNVBAGLBSA-N 1 2 246.376 0.562 20 70 BCIDLO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1cscn1 ZINC000161174330 538914684 /nfs/dbraw/zinc/91/46/84/538914684.db2.gz JYYKXDGCUGZDSN-SSDOTTSWSA-N 1 2 249.361 0.343 20 70 BCIDLO CN1CC[C@H](SCC[NH+]2CCOCC2)C1=O ZINC000159889863 323052240 /nfs/dbraw/zinc/05/22/40/323052240.db2.gz UTFLPHIEKASHFW-JTQLQIEISA-N 1 2 244.360 0.283 20 70 BCIDLO Cc1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159787512 345534526 /nfs/dbraw/zinc/53/45/26/345534526.db2.gz BUTSXXCGCZGJKA-UHFFFAOYSA-N 1 2 243.332 0.943 20 70 BCIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(N)=O ZINC000159887856 345587205 /nfs/dbraw/zinc/58/72/05/345587205.db2.gz HPXGBCCUXPGCSG-JTQLQIEISA-N 1 2 246.376 0.562 20 70 BCIDLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000160289915 191118253 /nfs/dbraw/zinc/11/82/53/191118253.db2.gz AMVBDNGUUAEDDI-SCZZXKLOSA-N 1 2 228.292 0.148 20 70 BCIDLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000160289915 191118256 /nfs/dbraw/zinc/11/82/56/191118256.db2.gz AMVBDNGUUAEDDI-SCZZXKLOSA-N 1 2 228.292 0.148 20 70 BCIDLO CC(C)NS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000160784750 350862211 /nfs/dbraw/zinc/86/22/11/350862211.db2.gz BDPLECYIILQTLB-UHFFFAOYSA-N 1 2 232.309 0.084 20 70 BCIDLO CCOCC[N@@H+](C)Cc1nnc(CC)[nH]1 ZINC000160245914 170391617 /nfs/dbraw/zinc/39/16/17/170391617.db2.gz WCJSSOFYZLOINW-UHFFFAOYSA-N 1 2 212.297 0.835 20 70 BCIDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000160833012 384937359 /nfs/dbraw/zinc/93/73/59/384937359.db2.gz RDMRNZHIUXLKOA-JTQLQIEISA-N 1 2 224.308 0.816 20 70 BCIDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000160833012 384937365 /nfs/dbraw/zinc/93/73/65/384937365.db2.gz RDMRNZHIUXLKOA-JTQLQIEISA-N 1 2 224.308 0.816 20 70 BCIDLO Cc1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000159565516 388021916 /nfs/dbraw/zinc/02/19/16/388021916.db2.gz VFEWCKWUBHWCQP-ZJUUUORDSA-N 1 2 225.292 0.971 20 70 BCIDLO Cc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000159565516 388021920 /nfs/dbraw/zinc/02/19/20/388021920.db2.gz VFEWCKWUBHWCQP-ZJUUUORDSA-N 1 2 225.292 0.971 20 70 BCIDLO CC(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000160461108 388067579 /nfs/dbraw/zinc/06/75/79/388067579.db2.gz NTRMCDDILUJZTJ-UHFFFAOYSA-N 1 2 248.392 0.447 20 70 BCIDLO CCOCC[N@H+](C)Cc1nnc(CC)[nH]1 ZINC000160245914 170391615 /nfs/dbraw/zinc/39/16/15/170391615.db2.gz WCJSSOFYZLOINW-UHFFFAOYSA-N 1 2 212.297 0.835 20 70 BCIDLO COCCN(CCn1cc[nH+]c1)CC(=O)OC ZINC000159824009 174297893 /nfs/dbraw/zinc/29/78/93/174297893.db2.gz YQCHTTDHIVVRBI-UHFFFAOYSA-N 1 2 241.291 0.005 20 70 BCIDLO CC(C)n1cc[nH+]c1CN1CCNC(=O)CC1 ZINC000160864505 487978300 /nfs/dbraw/zinc/97/83/00/487978300.db2.gz QVJFZCNRFWZCMR-UHFFFAOYSA-N 1 2 236.319 0.786 20 70 BCIDLO CS(=O)(=O)CCCC[NH+]1CCSCC1 ZINC000161469569 538915827 /nfs/dbraw/zinc/91/58/27/538915827.db2.gz FGGWDYWGACUMQX-UHFFFAOYSA-N 1 2 237.390 0.860 20 70 BCIDLO NC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159614536 345446397 /nfs/dbraw/zinc/44/63/97/345446397.db2.gz LUOBJIKJNDXGAH-AWEZNQCLSA-N 1 2 246.310 0.646 20 70 BCIDLO NC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159614536 345446399 /nfs/dbraw/zinc/44/63/99/345446399.db2.gz LUOBJIKJNDXGAH-AWEZNQCLSA-N 1 2 246.310 0.646 20 70 BCIDLO CC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000159735557 345506946 /nfs/dbraw/zinc/50/69/46/345506946.db2.gz JMGMASYJTCJTEF-LURJTMIESA-N 1 2 223.232 0.250 20 70 BCIDLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161304417 349419686 /nfs/dbraw/zinc/41/96/86/349419686.db2.gz HCTBUWLLMWDWNK-OPRDCNLKSA-N 1 2 219.288 0.970 20 70 BCIDLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCCO1 ZINC000160940314 182178417 /nfs/dbraw/zinc/17/84/17/182178417.db2.gz XGFSFAKNNCZHLC-LLVKDONJSA-N 1 2 237.303 0.959 20 70 BCIDLO O[C@@H](C[NH2+]Cc1ncc[nH]1)C(F)(F)F ZINC000218208412 183180526 /nfs/dbraw/zinc/18/05/26/183180526.db2.gz FCMRPAJQSWAGEL-YFKPBYRVSA-N 1 2 209.171 0.423 20 70 BCIDLO COCc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000160493338 384415580 /nfs/dbraw/zinc/41/55/80/384415580.db2.gz LSYSMLRZIPCHRP-UHFFFAOYSA-N 1 2 234.299 0.765 20 70 BCIDLO COCc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000160493338 384415587 /nfs/dbraw/zinc/41/55/87/384415587.db2.gz LSYSMLRZIPCHRP-UHFFFAOYSA-N 1 2 234.299 0.765 20 70 BCIDLO Cn1cc[nH+]c1CN1CCN(CC(F)F)CC1 ZINC000160877417 388096887 /nfs/dbraw/zinc/09/68/87/388096887.db2.gz GWTKCKNXVGNSPM-UHFFFAOYSA-N 1 2 244.289 0.803 20 70 BCIDLO CCCn1c(C)nnc1C[N@H+](C)C[C@@H](C)O ZINC000159553924 345440545 /nfs/dbraw/zinc/44/05/45/345440545.db2.gz JZDIBGCTTKPBBC-SECBINFHSA-N 1 2 226.324 0.809 20 70 BCIDLO CCCn1c(C)nnc1C[N@@H+](C)C[C@@H](C)O ZINC000159553924 345440546 /nfs/dbraw/zinc/44/05/46/345440546.db2.gz JZDIBGCTTKPBBC-SECBINFHSA-N 1 2 226.324 0.809 20 70 BCIDLO CCn1ccnc1C[NH+](CCOC)CCOC ZINC000160708709 357185045 /nfs/dbraw/zinc/18/50/45/357185045.db2.gz ABUCKOOQQTUYIE-UHFFFAOYSA-N 1 2 241.335 0.998 20 70 BCIDLO CCn1cc[nH+]c1CN(CCOC)CCOC ZINC000160708709 357185047 /nfs/dbraw/zinc/18/50/47/357185047.db2.gz ABUCKOOQQTUYIE-UHFFFAOYSA-N 1 2 241.335 0.998 20 70 BCIDLO Cn1cc[nH+]c1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000160761008 358435074 /nfs/dbraw/zinc/43/50/74/358435074.db2.gz XEGYPYKGXRGKOP-NSHDSACASA-N 1 2 248.330 0.663 20 70 BCIDLO Cn1ccnc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000160761008 358435075 /nfs/dbraw/zinc/43/50/75/358435075.db2.gz XEGYPYKGXRGKOP-NSHDSACASA-N 1 2 248.330 0.663 20 70 BCIDLO Cn1ccnc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000160761008 358435077 /nfs/dbraw/zinc/43/50/77/358435077.db2.gz XEGYPYKGXRGKOP-NSHDSACASA-N 1 2 248.330 0.663 20 70 BCIDLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCCO1 ZINC000160202314 384391910 /nfs/dbraw/zinc/39/19/10/384391910.db2.gz PIPAMEGKLVAPJU-JTQLQIEISA-N 1 2 237.303 0.948 20 70 BCIDLO C[C@H](C(N)=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161189563 384473233 /nfs/dbraw/zinc/47/32/33/384473233.db2.gz JYLDJENIQPYDJO-LLVKDONJSA-N 1 2 248.330 0.073 20 70 BCIDLO C[C@H](C(N)=O)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161189563 384473237 /nfs/dbraw/zinc/47/32/37/384473237.db2.gz JYLDJENIQPYDJO-LLVKDONJSA-N 1 2 248.330 0.073 20 70 BCIDLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000160833142 388092889 /nfs/dbraw/zinc/09/28/89/388092889.db2.gz RDMRNZHIUXLKOA-SNVBAGLBSA-N 1 2 224.308 0.816 20 70 BCIDLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000160833142 388092891 /nfs/dbraw/zinc/09/28/91/388092891.db2.gz RDMRNZHIUXLKOA-SNVBAGLBSA-N 1 2 224.308 0.816 20 70 BCIDLO CCOCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160411679 397980676 /nfs/dbraw/zinc/98/06/76/397980676.db2.gz SQNSJFGJQLICIH-NSHDSACASA-N 1 2 242.319 0.002 20 70 BCIDLO CCOCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160411679 397980684 /nfs/dbraw/zinc/98/06/84/397980684.db2.gz SQNSJFGJQLICIH-NSHDSACASA-N 1 2 242.319 0.002 20 70 BCIDLO COc1ccc[nH+]c1NC[C@](C)(O)CO ZINC000160249591 323064533 /nfs/dbraw/zinc/06/45/33/323064533.db2.gz ZPKXSIOAXPJXTA-JTQLQIEISA-N 1 2 212.249 0.245 20 70 BCIDLO NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159614400 345446589 /nfs/dbraw/zinc/44/65/89/345446589.db2.gz LUOBJIKJNDXGAH-CQSZACIVSA-N 1 2 246.310 0.646 20 70 BCIDLO NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159614400 345446590 /nfs/dbraw/zinc/44/65/90/345446590.db2.gz LUOBJIKJNDXGAH-CQSZACIVSA-N 1 2 246.310 0.646 20 70 BCIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000159845589 345562958 /nfs/dbraw/zinc/56/29/58/345562958.db2.gz JUMRIQBFLQBERP-LLVKDONJSA-N 1 2 244.298 0.784 20 70 BCIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000159845589 345562959 /nfs/dbraw/zinc/56/29/59/345562959.db2.gz JUMRIQBFLQBERP-LLVKDONJSA-N 1 2 244.298 0.784 20 70 BCIDLO Cc1cc(N[C@@H]2CCN(C)C2=O)nc[nH+]1 ZINC000217495702 134247028 /nfs/dbraw/zinc/24/70/28/134247028.db2.gz WQOCWSAADHCOQT-MRVPVSSYSA-N 1 2 206.249 0.428 20 70 BCIDLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000159550813 361252666 /nfs/dbraw/zinc/25/26/66/361252666.db2.gz DQFGRMMGCXTMAV-XLPZGREQSA-N 1 2 201.266 0.297 20 70 BCIDLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000160022835 182215544 /nfs/dbraw/zinc/21/55/44/182215544.db2.gz MJNSEJUTTCOXEC-JTQLQIEISA-N 1 2 223.276 0.568 20 70 BCIDLO Cc1nnc(SCCn2cc[nH+]c2)n1N ZINC000159392738 384329288 /nfs/dbraw/zinc/32/92/88/384329288.db2.gz OYJIPIRNWSKTLF-UHFFFAOYSA-N 1 2 224.293 0.289 20 70 BCIDLO C[C@@H]1OCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000160616139 384423006 /nfs/dbraw/zinc/42/30/06/384423006.db2.gz NSQDZUYQFYVOLN-VHSXEESVSA-N 1 2 238.291 0.360 20 70 BCIDLO COC[C@](C)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000159551324 388021407 /nfs/dbraw/zinc/02/14/07/388021407.db2.gz CAYFNCWNZYGVSA-NSHDSACASA-N 1 2 233.308 0.315 20 70 BCIDLO CCc1nnc(C[N@@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000159596876 397763648 /nfs/dbraw/zinc/76/36/48/397763648.db2.gz JNCKFEOIFAFTNY-UHFFFAOYSA-N 1 2 232.291 0.649 20 70 BCIDLO CCc1nnc(C[N@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000159596876 397763653 /nfs/dbraw/zinc/76/36/53/397763653.db2.gz JNCKFEOIFAFTNY-UHFFFAOYSA-N 1 2 232.291 0.649 20 70 BCIDLO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161160654 173303613 /nfs/dbraw/zinc/30/36/13/173303613.db2.gz XYDANRMPIUCFFF-RQJHMYQMSA-N 1 2 213.306 0.928 20 70 BCIDLO CCn1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000160318445 323064792 /nfs/dbraw/zinc/06/47/92/323064792.db2.gz ZYGMEGSATZMQFC-JTQLQIEISA-N 1 2 222.292 0.353 20 70 BCIDLO CCn1cc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000160318445 323064793 /nfs/dbraw/zinc/06/47/93/323064793.db2.gz ZYGMEGSATZMQFC-JTQLQIEISA-N 1 2 222.292 0.353 20 70 BCIDLO O=C([C@H]1CCCc2[nH]ncc21)N1CC[NH2+]CC1 ZINC000159407781 491078565 /nfs/dbraw/zinc/07/85/65/491078565.db2.gz BCYGNPHACXDABU-VIFPVBQESA-N 1 2 234.303 0.261 20 70 BCIDLO O=C([C@@H]1CCCc2[nH]ncc21)N1CC[NH2+]CC1 ZINC000159407925 491078609 /nfs/dbraw/zinc/07/86/09/491078609.db2.gz BCYGNPHACXDABU-SECBINFHSA-N 1 2 234.303 0.261 20 70 BCIDLO CCc1cc(NCCn2ccnn2)nc[nH+]1 ZINC000159623402 585025807 /nfs/dbraw/zinc/02/58/07/585025807.db2.gz VYPSLIWXVNIPSV-UHFFFAOYSA-N 1 2 218.264 0.743 20 70 BCIDLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000159550923 343202360 /nfs/dbraw/zinc/20/23/60/343202360.db2.gz DQFGRMMGCXTMAV-BIIVOSGPSA-N 1 2 201.266 0.297 20 70 BCIDLO CCCNS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000160784601 362234154 /nfs/dbraw/zinc/23/41/54/362234154.db2.gz MRVLYLVBCUHPTC-UHFFFAOYSA-N 1 2 232.309 0.086 20 70 BCIDLO CC(=O)N[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000159735683 345506544 /nfs/dbraw/zinc/50/65/44/345506544.db2.gz JMGMASYJTCJTEF-ZCFIWIBFSA-N 1 2 223.232 0.250 20 70 BCIDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000217632581 345744632 /nfs/dbraw/zinc/74/46/32/345744632.db2.gz XFKFIQNJFPSTRJ-VIFPVBQESA-N 1 2 246.357 0.762 20 70 BCIDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000217632581 345744635 /nfs/dbraw/zinc/74/46/35/345744635.db2.gz XFKFIQNJFPSTRJ-VIFPVBQESA-N 1 2 246.357 0.762 20 70 BCIDLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCCO1 ZINC000160022932 182217719 /nfs/dbraw/zinc/21/77/19/182217719.db2.gz MJNSEJUTTCOXEC-SNVBAGLBSA-N 1 2 223.276 0.568 20 70 BCIDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1csnn1 ZINC000159663970 385708668 /nfs/dbraw/zinc/70/86/68/385708668.db2.gz ORAZCGDTJWTBIL-SFYZADRCSA-N 1 2 240.332 0.624 20 70 BCIDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1csnn1 ZINC000159663970 385708671 /nfs/dbraw/zinc/70/86/71/385708671.db2.gz ORAZCGDTJWTBIL-SFYZADRCSA-N 1 2 240.332 0.624 20 70 BCIDLO COCc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000160311147 387080642 /nfs/dbraw/zinc/08/06/42/387080642.db2.gz BZGICTNCWOBEAY-NSHDSACASA-N 1 2 238.287 0.876 20 70 BCIDLO COCc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000160311147 387080645 /nfs/dbraw/zinc/08/06/45/387080645.db2.gz BZGICTNCWOBEAY-NSHDSACASA-N 1 2 238.287 0.876 20 70 BCIDLO Cn1cnnc1C[N@@H+]1CCCSCC1 ZINC000161477241 387226802 /nfs/dbraw/zinc/22/68/02/387226802.db2.gz YHGPSYBYXDNSKT-UHFFFAOYSA-N 1 2 212.322 0.754 20 70 BCIDLO Cn1cnnc1C[N@H+]1CCCSCC1 ZINC000161477241 387226815 /nfs/dbraw/zinc/22/68/15/387226815.db2.gz YHGPSYBYXDNSKT-UHFFFAOYSA-N 1 2 212.322 0.754 20 70 BCIDLO CC[C@@H]1C(=O)NCCN1c1cc[nH+]c(C)n1 ZINC000160413719 387726744 /nfs/dbraw/zinc/72/67/44/387726744.db2.gz NDTGFQWQOAKJSF-SECBINFHSA-N 1 2 220.276 0.500 20 70 BCIDLO CC1(C)C(=O)NCC[N@H+]1CCOCC1CC1 ZINC000160493196 388070243 /nfs/dbraw/zinc/07/02/43/388070243.db2.gz ZWHDKZAKPYJOHE-UHFFFAOYSA-N 1 2 226.320 0.623 20 70 BCIDLO CC1(C)C(=O)NCC[N@@H+]1CCOCC1CC1 ZINC000160493196 388070247 /nfs/dbraw/zinc/07/02/47/388070247.db2.gz ZWHDKZAKPYJOHE-UHFFFAOYSA-N 1 2 226.320 0.623 20 70 BCIDLO COc1ccc[nH+]c1NCC(=O)NC1CC1 ZINC000160210303 323063823 /nfs/dbraw/zinc/06/38/23/323063823.db2.gz PIPFXFDGDPNVJH-UHFFFAOYSA-N 1 2 221.260 0.781 20 70 BCIDLO COc1ccc[nH+]c1NCCNC(C)=O ZINC000160209040 323063909 /nfs/dbraw/zinc/06/39/09/323063909.db2.gz HNADLEGZLKLKHV-UHFFFAOYSA-N 1 2 209.249 0.638 20 70 BCIDLO CN1CCN(Cc2c[nH+]c3ccccn23)CC1=O ZINC000160565515 323071717 /nfs/dbraw/zinc/07/17/17/323071717.db2.gz JKNGPMZWWTYSHV-UHFFFAOYSA-N 1 2 244.298 0.608 20 70 BCIDLO