smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105280863 543168672 /nfs/dbraw/zinc/16/86/72/543168672.db2.gz SSJIBDAQWKZFRP-IBGZPJMESA-N 1 2 360.502 2.149 10 10 FECELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105280863 543168675 /nfs/dbraw/zinc/16/86/75/543168675.db2.gz SSJIBDAQWKZFRP-IBGZPJMESA-N 1 2 360.502 2.149 10 10 FECELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000106373249 543227246 /nfs/dbraw/zinc/22/72/46/543227246.db2.gz BHSVWCASAPVISK-UHFFFAOYSA-N 1 2 369.513 2.284 10 10 FECELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cn1 ZINC000193026134 548377933 /nfs/dbraw/zinc/37/79/33/548377933.db2.gz PCYUWAMHQSFCNH-UHFFFAOYSA-N 1 2 358.442 2.052 10 10 FECELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cn1 ZINC000193026134 548377938 /nfs/dbraw/zinc/37/79/38/548377938.db2.gz PCYUWAMHQSFCNH-UHFFFAOYSA-N 1 2 358.442 2.052 10 10 FECELO Cc1ncc(C[NH+]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)s1 ZINC000181064367 547241731 /nfs/dbraw/zinc/24/17/31/547241731.db2.gz OWMUVJPTWHDOTK-HWKANZROSA-N 1 2 359.451 2.220 10 10 FECELO COc1ccc(N2CCN(c3nc[nH+]c(N4CCCCC4)c3N)CC2)cc1 ZINC000040724633 536703253 /nfs/dbraw/zinc/70/32/53/536703253.db2.gz MWMTULTUOLVBHU-UHFFFAOYSA-N 1 2 368.485 2.384 10 10 FECELO COc1ccc(N2CCN(c3[nH+]cnc(N4CCCCC4)c3N)CC2)cc1 ZINC000040724633 536703260 /nfs/dbraw/zinc/70/32/60/536703260.db2.gz MWMTULTUOLVBHU-UHFFFAOYSA-N 1 2 368.485 2.384 10 10 FECELO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000172753711 546266901 /nfs/dbraw/zinc/26/69/01/546266901.db2.gz YWNBGSDVMHBDDL-QGZVFWFLSA-N 1 2 354.454 2.036 10 10 FECELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000180104011 547051909 /nfs/dbraw/zinc/05/19/09/547051909.db2.gz ZBVLDVKGTSTHFF-ZDUSSCGKSA-N 1 2 353.220 2.155 10 10 FECELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000180104011 547051916 /nfs/dbraw/zinc/05/19/16/547051916.db2.gz ZBVLDVKGTSTHFF-ZDUSSCGKSA-N 1 2 353.220 2.155 10 10 FECELO OC[C@@H]1CCCN1c1cc(NCCCSc2nccs2)[nH+]cn1 ZINC000156411278 672246181 /nfs/dbraw/zinc/24/61/81/672246181.db2.gz IGBLBTWYMCHZGW-LBPRGKRZSA-N 1 2 351.501 2.489 10 10 FECELO OC[C@@H]1CCCN1c1cc(NCCCSc2nccs2)nc[nH+]1 ZINC000156411278 672246184 /nfs/dbraw/zinc/24/61/84/672246184.db2.gz IGBLBTWYMCHZGW-LBPRGKRZSA-N 1 2 351.501 2.489 10 10 FECELO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000309517136 673022812 /nfs/dbraw/zinc/02/28/12/673022812.db2.gz AHEMOTTXHXZGKA-OIBJUYFYSA-N 1 2 351.038 2.388 10 10 FECELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000184690869 547865987 /nfs/dbraw/zinc/86/59/87/547865987.db2.gz GGRWZXMKZJUSJG-OAHLLOKOSA-N 1 2 351.834 2.460 10 10 FECELO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000184690869 547865990 /nfs/dbraw/zinc/86/59/90/547865990.db2.gz GGRWZXMKZJUSJG-OAHLLOKOSA-N 1 2 351.834 2.460 10 10 FECELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cccc(O)c1O ZINC000193126945 548380507 /nfs/dbraw/zinc/38/05/07/548380507.db2.gz VNPZEXZJVCVUCS-CQSZACIVSA-N 1 2 362.451 2.305 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)c1O ZINC000175648803 546326951 /nfs/dbraw/zinc/32/69/51/546326951.db2.gz JISOAAAEKJETNQ-NSHDSACASA-N 1 2 362.405 2.304 10 10 FECELO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCOCC2)s1 ZINC000193126979 548380113 /nfs/dbraw/zinc/38/01/13/548380113.db2.gz UUBKHVASDLHJGV-AWEZNQCLSA-N 1 2 362.451 2.271 10 10 FECELO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000180120061 547054146 /nfs/dbraw/zinc/05/41/46/547054146.db2.gz ABNJIADCSTXHMT-UHFFFAOYSA-N 1 2 372.860 2.353 10 10 FECELO Cc1nnc([C@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCO2)[nH]1 ZINC000180612173 547141407 /nfs/dbraw/zinc/14/14/07/547141407.db2.gz LLEDYMNEEOWTOQ-CYBMUJFWSA-N 1 2 367.247 2.463 10 10 FECELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCO2)[nH]1 ZINC000180612173 547141412 /nfs/dbraw/zinc/14/14/12/547141412.db2.gz LLEDYMNEEOWTOQ-CYBMUJFWSA-N 1 2 367.247 2.463 10 10 FECELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105280858 543168423 /nfs/dbraw/zinc/16/84/23/543168423.db2.gz SSJIBDAQWKZFRP-LJQANCHMSA-N 1 2 360.502 2.149 10 10 FECELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105280858 543168426 /nfs/dbraw/zinc/16/84/26/543168426.db2.gz SSJIBDAQWKZFRP-LJQANCHMSA-N 1 2 360.502 2.149 10 10 FECELO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1O ZINC000175650430 546328102 /nfs/dbraw/zinc/32/81/02/546328102.db2.gz HPSKIPYPXSWUIN-UHFFFAOYSA-N 1 2 360.433 2.175 10 10 FECELO CC(=O)c1cc(F)cc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)c1O ZINC000175650430 546328106 /nfs/dbraw/zinc/32/81/06/546328106.db2.gz HPSKIPYPXSWUIN-UHFFFAOYSA-N 1 2 360.433 2.175 10 10 FECELO CC1CCN(c2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000108443763 543290225 /nfs/dbraw/zinc/29/02/25/543290225.db2.gz QTKFSOKDDKMRHA-LJQANCHMSA-N 1 2 360.502 2.053 10 10 FECELO CC1CCN(c2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000108443763 543290227 /nfs/dbraw/zinc/29/02/27/543290227.db2.gz QTKFSOKDDKMRHA-LJQANCHMSA-N 1 2 360.502 2.053 10 10 FECELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000172753707 546266277 /nfs/dbraw/zinc/26/62/77/546266277.db2.gz YWNBGSDVMHBDDL-KRWDZBQOSA-N 1 2 354.454 2.036 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1O ZINC000192001965 548356366 /nfs/dbraw/zinc/35/63/66/548356366.db2.gz VFLDCNBTMVWZEF-HNNXBMFYSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c1O ZINC000192001965 548356369 /nfs/dbraw/zinc/35/63/69/548356369.db2.gz VFLDCNBTMVWZEF-HNNXBMFYSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c1O ZINC000192001965 548356375 /nfs/dbraw/zinc/35/63/75/548356375.db2.gz VFLDCNBTMVWZEF-HNNXBMFYSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c1O ZINC000192001965 548356377 /nfs/dbraw/zinc/35/63/77/548356377.db2.gz VFLDCNBTMVWZEF-HNNXBMFYSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1O ZINC000192001973 548355547 /nfs/dbraw/zinc/35/55/47/548355547.db2.gz VFLDCNBTMVWZEF-OAHLLOKOSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c1O ZINC000192001973 548355550 /nfs/dbraw/zinc/35/55/50/548355550.db2.gz VFLDCNBTMVWZEF-OAHLLOKOSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c1O ZINC000192001973 548355555 /nfs/dbraw/zinc/35/55/55/548355555.db2.gz VFLDCNBTMVWZEF-OAHLLOKOSA-N 1 2 352.406 2.105 10 10 FECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c1O ZINC000192001973 548355557 /nfs/dbraw/zinc/35/55/57/548355557.db2.gz VFLDCNBTMVWZEF-OAHLLOKOSA-N 1 2 352.406 2.105 10 10 FECELO [NH3+]Cc1cc(I)cc(I)c1O ZINC000029220524 211508336 /nfs/dbraw/zinc/50/83/36/211508336.db2.gz BHHJBHFNWNSUOJ-UHFFFAOYSA-N 1 2 374.947 2.060 10 10 FECELO CC1CCN(c2ccc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000108443765 543289987 /nfs/dbraw/zinc/28/99/87/543289987.db2.gz QTKFSOKDDKMRHA-IBGZPJMESA-N 1 2 360.502 2.053 10 10 FECELO CC1CCN(c2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000108443765 543289990 /nfs/dbraw/zinc/28/99/90/543289990.db2.gz QTKFSOKDDKMRHA-IBGZPJMESA-N 1 2 360.502 2.053 10 10 FECELO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122145054 543703721 /nfs/dbraw/zinc/70/37/21/543703721.db2.gz RZBKIXSCVOLAGZ-AWEZNQCLSA-N 1 2 352.232 2.252 10 10 FECELO Oc1ccc(Br)cc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122145054 543703724 /nfs/dbraw/zinc/70/37/24/543703724.db2.gz RZBKIXSCVOLAGZ-AWEZNQCLSA-N 1 2 352.232 2.252 10 10 FECELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccccc2O)nc[nH+]1 ZINC000173422690 546281125 /nfs/dbraw/zinc/28/11/25/546281125.db2.gz KNWOYMMALPFWIA-OAHLLOKOSA-N 1 2 370.457 2.034 10 10 FECELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccccc2O)[nH+]cn1 ZINC000173422690 546281126 /nfs/dbraw/zinc/28/11/26/546281126.db2.gz KNWOYMMALPFWIA-OAHLLOKOSA-N 1 2 370.457 2.034 10 10 FECELO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000173806517 546287607 /nfs/dbraw/zinc/28/76/07/546287607.db2.gz PBJJFDWGMKNUJP-HNAYVOBHSA-N 1 2 368.481 2.282 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)c1O ZINC000175648784 546327466 /nfs/dbraw/zinc/32/74/66/546327466.db2.gz JISOAAAEKJETNQ-LLVKDONJSA-N 1 2 362.405 2.304 10 10 FECELO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCOCC2)s1 ZINC000193126962 548380225 /nfs/dbraw/zinc/38/02/25/548380225.db2.gz UUBKHVASDLHJGV-CQSZACIVSA-N 1 2 362.451 2.271 10 10 FECELO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173787251 546286124 /nfs/dbraw/zinc/28/61/24/546286124.db2.gz VWTDPLCTXQTDBY-IBGZPJMESA-N 1 2 360.502 2.149 10 10 FECELO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195505860 548652707 /nfs/dbraw/zinc/65/27/07/548652707.db2.gz VDDFQCFNWQRQHG-UHFFFAOYSA-N 1 2 355.486 2.314 10 10 FECELO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000173806542 546287586 /nfs/dbraw/zinc/28/75/86/546287586.db2.gz PBJJFDWGMKNUJP-KXBFYZLASA-N 1 2 368.481 2.282 10 10 FECELO CC[NH+]1CCN(C2=NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)CC1 ZINC000096594483 670761504 /nfs/dbraw/zinc/76/15/04/670761504.db2.gz VEHGVJOOAMNQMB-LFIBNONCSA-N 1 2 361.467 2.312 10 10 FECELO COc1cc(O)c(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)cc1OC ZINC000160256664 546022958 /nfs/dbraw/zinc/02/29/58/546022958.db2.gz GCQPVCJPRNEPOW-IBGZPJMESA-N 1 2 372.465 2.261 10 10 FECELO COc1cc(O)c(CN2CC[NH+](Cc3cnc(C)s3)CC2)cc1OC ZINC000160171572 546013858 /nfs/dbraw/zinc/01/38/58/546013858.db2.gz LREWAFUOEHMSRF-UHFFFAOYSA-N 1 2 363.483 2.492 10 10 FECELO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122145236 543703783 /nfs/dbraw/zinc/70/37/83/543703783.db2.gz RZBKIXSCVOLAGZ-CQSZACIVSA-N 1 2 352.232 2.252 10 10 FECELO Oc1ccc(Br)cc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122145236 543703786 /nfs/dbraw/zinc/70/37/86/543703786.db2.gz RZBKIXSCVOLAGZ-CQSZACIVSA-N 1 2 352.232 2.252 10 10 FECELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1 ZINC000182390492 547483770 /nfs/dbraw/zinc/48/37/70/547483770.db2.gz HWNWMPQZWZKHFH-UHFFFAOYSA-N 1 2 372.469 2.361 10 10 FECELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1 ZINC000182390492 547483776 /nfs/dbraw/zinc/48/37/76/547483776.db2.gz HWNWMPQZWZKHFH-UHFFFAOYSA-N 1 2 372.469 2.361 10 10 FECELO CCN(CC)c1[nH+]cnc(N2CCN(c3ccc(OC)cc3)CC2)c1N ZINC000040723158 136120133 /nfs/dbraw/zinc/12/01/33/136120133.db2.gz ZDVFBALIEDQMJE-UHFFFAOYSA-N 1 2 356.474 2.240 10 10 FECELO CCN(CC)c1nc[nH+]c(N2CCN(c3ccc(OC)cc3)CC2)c1N ZINC000040723158 136120134 /nfs/dbraw/zinc/12/01/34/136120134.db2.gz ZDVFBALIEDQMJE-UHFFFAOYSA-N 1 2 356.474 2.240 10 10 FECELO CCc1nnc([C@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000129218302 544098045 /nfs/dbraw/zinc/09/80/45/544098045.db2.gz XFZPOOXKQSXLAR-CYBMUJFWSA-N 1 2 367.247 2.409 10 10 FECELO CCc1nnc([C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000129218302 544098046 /nfs/dbraw/zinc/09/80/46/544098046.db2.gz XFZPOOXKQSXLAR-CYBMUJFWSA-N 1 2 367.247 2.409 10 10 FECELO COc1cc(O)c(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1OC ZINC000160258317 546022494 /nfs/dbraw/zinc/02/24/94/546022494.db2.gz XQFMZWWRHUKXNF-UHFFFAOYSA-N 1 2 374.485 2.078 10 10 FECELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000173806554 546287391 /nfs/dbraw/zinc/28/73/91/546287391.db2.gz PBJJFDWGMKNUJP-BEFAXECRSA-N 1 2 368.481 2.282 10 10 FECELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cccc(O)c1O ZINC000193126927 548379748 /nfs/dbraw/zinc/37/97/48/548379748.db2.gz VNPZEXZJVCVUCS-AWEZNQCLSA-N 1 2 362.451 2.305 10 10 FECELO COc1cc(O)c(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)cc1OC ZINC000160256798 546023073 /nfs/dbraw/zinc/02/30/73/546023073.db2.gz GCQPVCJPRNEPOW-LJQANCHMSA-N 1 2 372.465 2.261 10 10 FECELO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)[C@H](O)C1 ZINC000702821628 673060327 /nfs/dbraw/zinc/06/03/27/673060327.db2.gz ZFQXONUYYLIPAX-TZMCWYRMSA-N 1 2 356.850 2.363 10 10 FECELO CCc1nnc([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000129218104 544098027 /nfs/dbraw/zinc/09/80/27/544098027.db2.gz XFZPOOXKQSXLAR-ZDUSSCGKSA-N 1 2 367.247 2.409 10 10 FECELO CCc1nnc([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000129218104 544098030 /nfs/dbraw/zinc/09/80/30/544098030.db2.gz XFZPOOXKQSXLAR-ZDUSSCGKSA-N 1 2 367.247 2.409 10 10 FECELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccccc2O)nc[nH+]1 ZINC000173422709 546281609 /nfs/dbraw/zinc/28/16/09/546281609.db2.gz KNWOYMMALPFWIA-HNNXBMFYSA-N 1 2 370.457 2.034 10 10 FECELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccccc2O)[nH+]cn1 ZINC000173422709 546281611 /nfs/dbraw/zinc/28/16/11/546281611.db2.gz KNWOYMMALPFWIA-HNNXBMFYSA-N 1 2 370.457 2.034 10 10 FECELO Cc1nnc([C@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000180104031 547052542 /nfs/dbraw/zinc/05/25/42/547052542.db2.gz ZBVLDVKGTSTHFF-CYBMUJFWSA-N 1 2 353.220 2.155 10 10 FECELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)[nH]1 ZINC000180104031 547052545 /nfs/dbraw/zinc/05/25/45/547052545.db2.gz ZBVLDVKGTSTHFF-CYBMUJFWSA-N 1 2 353.220 2.155 10 10 FECELO O=C1N=C(NCCCn2cc[nH+]c2)SC1=Cc1ccc2c(c1)CCO2 ZINC000168137094 546158830 /nfs/dbraw/zinc/15/88/30/546158830.db2.gz NYSIWPJIULZPCZ-LFIBNONCSA-N 1 2 354.435 2.468 10 10 FECELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000184690850 547865936 /nfs/dbraw/zinc/86/59/36/547865936.db2.gz GGRWZXMKZJUSJG-HNNXBMFYSA-N 1 2 351.834 2.460 10 10 FECELO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000184690850 547865940 /nfs/dbraw/zinc/86/59/40/547865940.db2.gz GGRWZXMKZJUSJG-HNNXBMFYSA-N 1 2 351.834 2.460 10 10 FECELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCO2)[nH]1 ZINC000180612153 547141516 /nfs/dbraw/zinc/14/15/16/547141516.db2.gz LLEDYMNEEOWTOQ-ZDUSSCGKSA-N 1 2 367.247 2.463 10 10 FECELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCO2)[nH]1 ZINC000180612153 547141519 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CCc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(OC)c3O)CCO2)[nH]1 ZINC000184670720 547863639 /nfs/dbraw/zinc/86/36/39/547863639.db2.gz RCZRBEZSKWBFPH-ZDUSSCGKSA-N 1 2 352.822 2.308 10 10 FECELO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000702821626 673060090 /nfs/dbraw/zinc/06/00/90/673060090.db2.gz ZFQXONUYYLIPAX-JSGCOSHPSA-N 1 2 356.850 2.363 10 10 FECELO CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCC[NH+]1CCOCC1 ZINC000022042233 220375086 /nfs/dbraw/zinc/37/50/86/220375086.db2.gz AILSOHJPCWXRQW-VKAVYKQESA-N 1 2 360.433 2.134 10 10 FECELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000173806528 546287429 /nfs/dbraw/zinc/28/74/29/546287429.db2.gz PBJJFDWGMKNUJP-DNVCBOLYSA-N 1 2 368.481 2.282 10 10 FECELO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173787267 546286603 /nfs/dbraw/zinc/28/66/03/546286603.db2.gz VWTDPLCTXQTDBY-LJQANCHMSA-N 1 2 360.502 2.149 10 10 FECELO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1O ZINC000175649043 546327532 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