smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NNC(=O)C1=CC(C(=O)c2cccs2)=NN(c2ccccc2)[C@H]1C(=O)NN	4334800	DVZSTAIBLZHFMS-CQSZACIVSA-N	384.421	0.082	50	30	GCGC	
C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12	5157431	UHEMKMBRGXUBMJ-URUZQALBSA-N	398.839	0.471	50	30	GCGC	biogenic
COc1ccc(C(=O)Nc2ccccc2C(=O)C(=O)NNC(=O)CN(C)C)cc1	33886594	VXQLJEUAQZEDOG-UHFFFAOYSA-N	398.419	0.839	50	30	GCGC	
CC1(C)C[C@H](C(=O)NCCOCCNC(=O)CBr)C(C)(C)N1[O]	100074297	MVQJHHJXEFNXBL-LLVKDONJSA-N	393.302	0.855	50	30	GCGC	
O=C(Cn1nnc(N2CCCC2)n1)NNC(=S)Nc1ccc(F)cc1F	1044486	LDIBYWSIKVGPDV-UHFFFAOYSA-N	382.400	0.569	50	30	GCGC	
CC1(C)C[C@@H](NC(=O)CNC(=O)CI)C(C)(C)N1[O]	100078601	TUFQPRSUEPDVEA-MRVPVSSYSA-N	382.222	0.631	50	30	GCGC	
O=C(N/N=C(\C=N\NC(=O)c1ccccc1)C[C@H](O)[C@H](O)CO)c1ccccc1	17837445	FJSXOOVXUKPJIB-QPQTXSQFSA-N	398.419	0.292	50	30	GCGC	in-vitro
C[C@@H](C(=O)NNC(=O)c1ccccc1Cl)n1nnc(N2CCOCC2)n1	1044882	NWSCYMPHXBYODJ-JTQLQIEISA-N	379.808	0.185	50	30	GCGC	
CO[C@H]1O[C@H](CBr)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	38231355	JEEGQLMJZGMZSR-LBELIVKGSA-N	383.191	0.548	50	30	GCGC	
CC(=O)N1CSC[C@H]1C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	1038737	YXOMYYSHKMFZAI-NSHDSACASA-N	397.400	0.936	50	30	GCGC	
CC1(C)C[C@H](NC(=O)CNC(=O)CI)C(C)(C)N1[O]	100078599	TUFQPRSUEPDVEA-QMMMGPOBSA-N	382.222	0.631	50	30	GCGC	
O=C(CC(=O)NNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(F)cc1	2146022	NPFVBTZUSVFRGC-UHFFFAOYSA-N	376.319	0.577	50	30	GCGC	
O=C=NCCCCCCn1c(=O)oc(=O)n(CCCCCCN=C=O)c1=O	100048715	CWYAQUMZIHGIEF-UHFFFAOYSA-N	380.401	0.756	50	30	GCGC	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(N2CCOCC2)n1	1044880	AUVHPZXGMIZZQA-JTQLQIEISA-N	379.808	0.185	50	30	GCGC	
CC(=O)N1CSC[C@@H]1C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	1038738	YXOMYYSHKMFZAI-LLVKDONJSA-N	397.400	0.936	50	30	GCGC	
C=CCNC(=S)NNC(=O)Cn1c(-c2ccccc2)cc(=O)n2ncnc12	4334452	QAMJUTOXGOUPIM-UHFFFAOYSA-N	383.437	0.239	50	30	GCGC	
Cc1cc(=O)n2ncnc2n1CC(=O)NNC(=S)Nc1ccc(Cl)cc1	1034217	CMDNFXBVTSRQNB-UHFFFAOYSA-N	391.844	0.871	50	30	GCGC	
CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(OCCN3CCOCC3)ccc21	201300943	IDHKZEMHMSUJCQ-UHFFFAOYSA-N	390.245	0.815	50	30	GCGC	
CN1CCN(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)CC1	38174865	WENUMIHJCNINBY-UHFFFAOYSA-N	380.246	0.469	50	30	GCGC	
C[C@H](C(=O)NNC(=O)c1ccccc1Cl)n1nnc(N2CCOCC2)n1	1044883	NWSCYMPHXBYODJ-SNVBAGLBSA-N	379.808	0.185	50	30	GCGC	
CC(=O)OC[C@H]1O[C@H](N=C=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16040824	WOWNQYXIQWQJRJ-MRLBHPIUSA-N	389.382	0.172	50	30	GCGC	
Cc1nc(-c2nc(C(=O)NN(S(C)(=O)=O)S(C)(=O)=O)cs2)cs1	12370052	MZCDOKAYXKONTC-UHFFFAOYSA-N	396.497	0.441	50	30	GCGC	
O=C(Cn1nnc(N2CCCCC2)n1)NNC(=S)Nc1ccc(F)cc1F	1044484	CHHQPNKJQPYLPQ-UHFFFAOYSA-N	396.427	0.959	50	30	GCGC	
CCOC(=O)NNC(=O)NCCCCCCNC(=O)NNC(=O)OCC	17545271	MHFHAUURCRABBS-UHFFFAOYSA-N	376.414	0.467	50	30	GCGC	
CN1CCN(C(=O)c2ccc3c(c2)cc(B(O)O)n3C(=O)OC(C)(C)C)CC1	201300789	LBGDJMZIAMJAMK-UHFFFAOYSA-N	387.245	0.492	50	30	GCGC	
CC(=O)OC[C@H]1O[C@H](N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5224451	WOWNQYXIQWQJRJ-QMIVOQANSA-N	389.382	0.172	50	30	GCGC	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(N2CCOCC2)n1	1044881	AUVHPZXGMIZZQA-SNVBAGLBSA-N	379.808	0.185	50	30	GCGC	
CC1(C)C[C@@H](C(=O)NCCOCCNC(=O)CBr)C(C)(C)N1[O]	100074298	MVQJHHJXEFNXBL-NSHDSACASA-N	393.302	0.855	50	30	GCGC	
O=C(Cn1nnc(N2CCCC2)n1)NNC(=S)Nc1ccc(Cl)cc1	1044481	BNFNLXXRZHHTCM-UHFFFAOYSA-N	380.865	0.945	50	30	GCGC	
NNC(=O)C1=CC(C(=O)c2cccs2)=NN(c2ccccc2)[C@@H]1C(=O)NN	4334799	DVZSTAIBLZHFMS-AWEZNQCLSA-N	384.421	0.082	50	30	GCGC	
O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@]1(O)CN2CCC1CC2	4366605	LNCACUJQVZVFOE-CQSZACIVSA-N	393.387	0.472	50	30	GCGC	
O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@]1(O)CN2CCC1CC2	4366601	LNCACUJQVZVFOE-AWEZNQCLSA-N	393.387	0.472	50	30	GCGC	
NCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	72266970	OQIFRQVYHYGHRI-MWLCHTKSSA-N	380.184	0.419	50	30	GCGC	
CO[Si](CCCC(N)(CN)CCC[Si](OC)(OC)OC)(OC)OC	196907981	XUHFVHLVFLUKOE-UHFFFAOYSA-N	384.622	0.959	50	30	GCGC	
O=C(Cn1c2c(c(=O)n3ncnc13)CCC2)N/N=C/c1ccc([N+](=O)[O-])cc1	1034621	RZNRLSKXNHVUTD-UFWORHAWSA-N	381.352	0.438	50	30	GCGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)/C=C/C(=O)O)cc1	4322302	LQZHMVIHNZYPDP-MDZDMXLPSA-N	397.453	0.899	50	30	GCGC